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PUBCHEM-ZINC06528966

 MMsINC code: MMs03784685
Type: Neutral
Formula: C9H10N4O3
SMILES:   ON\C(\C(=N\O)\c1ccccc1)=C(/N=O)\N
InChI:   InChI=1/C9H10N4O3/c10-9(13-16)8(12-15)7(11-14)6-4-2-1-3-5-6/h1-5,12,14-15H,10H2/b9-8+,11-7-

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Potential Energy
Epot(MMFF94)=113.43 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.204 g/mol  logS: -1.81142  SlogP: 0.7379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235158  Sterimol/B1: 3.38989  Sterimol/B2: 4.14415  Sterimol/B3: 4.72023
  Sterimol/B4: 5.77816  Sterimol/L: 11.2177 
 
 Surface and Volume Properties
  Accessible surface: 411.263  Positive charged surface: 231.186  Negative charged surface: 180.076  Volume: 194.5
  Hydrophobic surface: 217.451  Hydrophilic surface: 193.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.