811
  Mrv0541 02231215012D          

 17 18  0  0  1  0            999 V2000
    4.1496   -1.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301   -0.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -2.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2001   -2.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2001    1.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822    0.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496    0.5473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697    1.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    2.7530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697   -2.0322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8147   -1.2476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8947   -2.0322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4822   -0.7626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3796   -2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    0.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8947    1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3796    1.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 11  2  1  1  0  0  0
 10  3  1  1  0  0  0
  4 14  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
 13  6  1  6  0  0  0
  6 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  6  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00811

> <DATABASE_NAME>
drugbank

> <SMILES>
NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1

> <INCHI_KEY>
InChIKey=IWUCXVSUMQZMFG-AFCXAGJDSA-N

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
22.18338685084327

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_EXACT_MASS>
244.080769514

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C8H12N4O5

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide

> <ALOGPS_LOGP>
-1.92

> <JCHEM_LOGP>
-2.7682973950000003

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MASS>
244.2047

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.56172463454537

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.878700833908908

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1726982699341972

> <JCHEM_POLAR_SURFACE_AREA>
143.72000000000003

> <JCHEM_REFRACTIVITY>
64.5744

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ribavirin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00811

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ribavirin

> <SYNONYMS>
Ribavirin; Ribavirina; Ribavirine; Ribavirinum; Tribavirin

> <BRANDS>
Copegus; Moderiba; Rebetol; Rebretron; Ribamide; Ribasphere; Vilona; Viramid; Virazide; Virazole

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