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PUBCHEM-ZINC03161009

 MMsINC code: MMs03003393
Type: Neutral
Formula: C13H28NP
SMILES:   P(NC1CCCCC1)(C(C)(C)C)C(C)C
InChI:   InChI=1/C13H28NP/c1-11(2)15(13(3,4)5)14-12-9-7-6-8-10-12/h11-12,14H,6-10H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.348 g/mol  logS: -2.05622  SlogP: 4.5125  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.138308  Sterimol/B1: 2.4117  Sterimol/B2: 3.23221  Sterimol/B3: 4.6992
  Sterimol/B4: 6.79086  Sterimol/L: 12.3793 
 
 Surface and Volume Properties
  Accessible surface: 463.666  Positive charged surface: 342.263  Negative charged surface: 121.403  Volume: 262.125
  Hydrophobic surface: 372.021  Hydrophilic surface: 91.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.