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ASINEX-ZINC03909293

 MMsINC code: MMs00294486
Type: Neutral
Formula: C10H10N4O3
SMILES:   Oc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1
InChI:   InChI=1/C10H10N4O3/c1-6-9(14(16)17)10(13-12-6)11-7-2-4-8(15)5-3-7/h2-5,15H,1H3,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=77.2726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.215 g/mol  logS: -2.49417  SlogP: 2.07552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352479  Sterimol/B1: 2.21842  Sterimol/B2: 2.73337  Sterimol/B3: 3.66704
  Sterimol/B4: 5.24916  Sterimol/L: 13.555 
 
 Surface and Volume Properties
  Accessible surface: 430.506  Positive charged surface: 212.305  Negative charged surface: 218.201  Volume: 201.75
  Hydrophobic surface: 246.691  Hydrophilic surface: 183.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.