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NCID-ZINC01762968

 MMsINC code: MMs02368270
Type: Ionized
Formula: C6H10N3O2+
SMILES:   O=C1NC(=O)NC=C1C[NH2+]C
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)/p+1

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Potential Energy
Epot(MMFF94)=-35.4674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.165 g/mol  logS: -0.16519  SlogP: -2.0971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478789  Sterimol/B1: 2.63846  Sterimol/B2: 2.97705  Sterimol/B3: 3.53558
  Sterimol/B4: 3.95851  Sterimol/L: 11.461 
 
 Surface and Volume Properties
  Accessible surface: 335.355  Positive charged surface: 247.657  Negative charged surface: 87.698  Volume: 142.25
  Hydrophobic surface: 129.536  Hydrophilic surface: 205.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02368269
NCID-ZINC01762968