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ACROSORGANICS-ZINC00895257

 MMsINC code: MMs00008154
Type: Neutral
Formula: C3H4N2
SMILES:   [nH]1nccc1
InChI:   InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 68.079 g/mol  logS: 0.17908  SlogP: 0.4097  Reactive groups: 0
 
 Topological Properties
  Globularity: 8.48757e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09837  Sterimol/B3: 2.40649
  Sterimol/B4: 4.09021  Sterimol/L: 6.92808 
 
 Surface and Volume Properties
  Accessible surface: 213.809  Positive charged surface: 133.912  Negative charged surface: 79.897  Volume: 70.375
  Hydrophobic surface: 119.996  Hydrophilic surface: 93.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.