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CHEMBRIDGE-ZINC01187541

 MMsINC code: MMs00683853
Type: Neutral
Formula: C3H8N3O2-
SMILES:   O=C(N)C[C-](NO)N
InChI:   InChI=1/C3H8N3O2/c4-2(6-8)1-3(5)7/h6,8H,1,4H2,(H2,5,7)/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.4435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.116 g/mol  logS: 1.02537  SlogP: -1.71121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715752  Sterimol/B1: 2.41476  Sterimol/B2: 2.52221  Sterimol/B3: 2.62426
  Sterimol/B4: 3.97523  Sterimol/L: 10.2789 
 
 Surface and Volume Properties
  Accessible surface: 289.846  Positive charged surface: 195.198  Negative charged surface: 94.6476  Volume: 105.375
  Hydrophobic surface: 36.6395  Hydrophilic surface: 253.2065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 1  Basic groups: 0
  Chiral centers: 1
 
 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.