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NCID-ZINC01762968

 MMsINC code: MMs02368269
Type: Neutral
Formula: C6H9N3O2
SMILES:   O=C1NC(=O)NC=C1CNC
InChI:   InChI=1/C6H9N3O2/c1-7-2-4-3-8-6(11)9-5(4)10/h3,7H,2H2,1H3,(H2,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-18.9443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.157 g/mol  logS: -0.18958  SlogP: -1.0709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629117  Sterimol/B1: 2.42046  Sterimol/B2: 3.1658  Sterimol/B3: 3.63437
  Sterimol/B4: 3.97316  Sterimol/L: 11.3115 
 
 Surface and Volume Properties
  Accessible surface: 330.923  Positive charged surface: 233.022  Negative charged surface: 97.9007  Volume: 139.625
  Hydrophobic surface: 150.343  Hydrophilic surface: 180.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02368270
NCID-ZINC01762968