Mrv0541 03191310472D          

 29 31  0  0  1  0            999 V2000
    6.3222   -7.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222   -6.5230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0367   -7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4972   -7.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4972   -6.5230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0367   -6.1105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512   -7.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0367   -8.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827   -7.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827   -6.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512   -6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4656   -7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512   -8.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222   -8.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682   -6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1801   -7.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3537   -6.1105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0682   -7.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3537   -5.2855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4826   -5.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368   -5.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -6.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -7.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -7.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959   -7.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8946   -7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  2 21  1  6  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  5  4  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  6  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 17 19  1  1  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 16 29  1  4  0  0  0
M  END
> <DATABASE_ID>
DB01150

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1

> <INCHI_KEY>
InChIKey=WDLWHQDACQUCJR-ZAMMOSSLSA-N

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
39.34702707999143

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_EXACT_MASS>
389.104541423

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C18H19N3O5S

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
-1.921689336014764

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MASS>
389.426

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.479927600304658

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.529320722733119

> <JCHEM_PKA_STRONGEST_BASIC>
7.429767892340149

> <JCHEM_POLAR_SURFACE_AREA>
132.96

> <JCHEM_REFRACTIVITY>
101.27310000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cefprozilo

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01150

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Cefprozil

> <SYNONYMS>
Cefprozil anhydrous; Cefprozilo; Cefprozilum

> <BRANDS>
Brisoral; Cronocef; Serozil

> <SALTS>
Cefprozil monohydrate

$$$$