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ASINEX-ZINC06681900

 MMsINC code: MMs00445373
Type: Neutral
Formula: C6H7N3O2
SMILES:   OC(=O)c1cnc(nc1)NC
InChI:   InChI=1/C6H7N3O2/c1-7-6-8-2-4(3-9-6)5(10)11/h2-3H,1H3,(H,10,11)(H,7,8,9)

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Potential Energy
Epot(MMFF94)=-7.11543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.141 g/mol  logS: -0.65534  SlogP: 0.2165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121523  Sterimol/B1: 2.3745  Sterimol/B2: 2.37549  Sterimol/B3: 2.86302
  Sterimol/B4: 4.38337  Sterimol/L: 11.7121 
 
 Surface and Volume Properties
  Accessible surface: 331.823  Positive charged surface: 265.868  Negative charged surface: 65.9555  Volume: 137.375
  Hydrophobic surface: 175.969  Hydrophilic surface: 155.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00445374
ASINEX-ZINC06681900