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PUBCHEM-ZINC06487488

 MMsINC code: MMs03762323
Type: Neutral
Formula: C4H10N2-2
SMILES:   [NH-]C(C([NH-])C)C
InChI:   InChI=1/C4H10N2/c1-3(5)4(2)6/h3-6H,1-2H3/q-2/t3-,4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.138 g/mol  logS: 0.32354  SlogP: 0.3292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.286315  Sterimol/B1: 2.37581  Sterimol/B2: 3.28835  Sterimol/B3: 3.34597
  Sterimol/B4: 3.60282  Sterimol/L: 8.37986 
 
 Surface and Volume Properties
  Accessible surface: 261.319  Positive charged surface: 167.318  Negative charged surface: 94.0006  Volume: 100.875
  Hydrophobic surface: 141.001  Hydrophilic surface: 120.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.