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PUBCHEM-ZINC05962381

 MMsINC code: MMs03462651
Type: Neutral
Formula: C4H10N2-2
SMILES:   [NH-]C(C[NH-])(C)C
InChI:   InChI=1/C4H10N2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.138 g/mol  logS: 0.32354  SlogP: 0.3308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.3918  Sterimol/B1: 2.45608  Sterimol/B2: 2.73147  Sterimol/B3: 4.0419
  Sterimol/B4: 4.47272  Sterimol/L: 8.20117 
 
 Surface and Volume Properties
  Accessible surface: 266.34  Positive charged surface: 175.71  Negative charged surface: 90.6303  Volume: 102.5
  Hydrophobic surface: 132.536  Hydrophilic surface: 133.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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.