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PUBCHEM-ZINC05972999

 MMsINC code: MMs03468495
Type: Neutral
Formula: C10H17N
SMILES:   N1CC=C(C=C1)CCCCC
InChI:   InChI=1/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-8,11H,2-5,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.7373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.253 g/mol  logS: -2.67599  SlogP: 2.61  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634645  Sterimol/B1: 2.90189  Sterimol/B2: 3.20481  Sterimol/B3: 3.54176
  Sterimol/B4: 3.78907  Sterimol/L: 13.405 
 
 Surface and Volume Properties
  Accessible surface: 392.843  Positive charged surface: 302.008  Negative charged surface: 90.8348  Volume: 180.75
  Hydrophobic surface: 317.661  Hydrophilic surface: 75.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.