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PUBCHEM-ZINC05833050

 MMsINC code: MMs03406519
Type: Neutral
Formula: C14H24N-
SMILES:   [N-]1CCC(CC1)C(C\C=C\C)C\C=C\C
InChI:   InChI=1/C14H24N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h3-6,13-14H,7-12H2,1-2H3/q-1/b5-3+,6-4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.7687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.353 g/mol  logS: -3.69816  SlogP: 4.3187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166815  Sterimol/B1: 2.53854  Sterimol/B2: 2.945  Sterimol/B3: 4.08927
  Sterimol/B4: 6.26784  Sterimol/L: 14.0093 
 
 Surface and Volume Properties
  Accessible surface: 464.901  Positive charged surface: 320.286  Negative charged surface: 144.615  Volume: 244.25
  Hydrophobic surface: 407.408  Hydrophilic surface: 57.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.