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PUBCHEM-ZINC06379926

 MMsINC code: MMs03693304
Type: Neutral
Formula: C4H10N-
SMILES:   [NH-]CCCC
InChI:   InChI=1/C4H10N/c1-2-3-4-5/h5H,2-4H2,1H3/q-1

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Potential Energy
Epot(MMFF94)=-0.562326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 72.131 g/mol  logS: -0.35049  SlogP: 1.0694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114728  Sterimol/B1: 2.37505  Sterimol/B2: 2.37579  Sterimol/B3: 2.62089
  Sterimol/B4: 2.8416  Sterimol/L: 9.41854 
 
 Surface and Volume Properties
  Accessible surface: 258.967  Positive charged surface: 187.914  Negative charged surface: 71.0532  Volume: 92.625
  Hydrophobic surface: 177.081  Hydrophilic surface: 81.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 1  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.