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PUBCHEM-ZINC05840085

 MMsINC code: MMs03410277
Type: Neutral
Formula: C5H10N-
SMILES:   [NH-]C1CCCC1
InChI:   InChI=1/C5H10N/c6-5-3-1-2-4-5/h5-6H,1-4H2/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.46768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 84.142 g/mol  logS: -0.26221  SlogP: 1.2119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269698  Sterimol/B1: 2.45247  Sterimol/B2: 2.73091  Sterimol/B3: 2.9012
  Sterimol/B4: 4.48613  Sterimol/L: 7.93922 
 
 Surface and Volume Properties
  Accessible surface: 262.899  Positive charged surface: 194.833  Negative charged surface: 68.066  Volume: 100.25
  Hydrophobic surface: 210.235  Hydrophilic surface: 52.664
 
 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.