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PUBCHEM-ZINC05973738

 MMsINC code: MMs03469338
Type: Neutral
Formula: C14H32NOP
SMILES:   P(CCCC)(CCCC)(CCCC)CC(=O)N
InChI:   InChI=1/C14H32NOP/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16/h17H,4-13H2,1-3H3,(H2,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.39 g/mol  logS: -3.01347  SlogP: 3.6219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.181916  Sterimol/B1: 2.42101  Sterimol/B2: 3.89105  Sterimol/B3: 3.98426
  Sterimol/B4: 10.4022  Sterimol/L: 14.8341 
 
 Surface and Volume Properties
  Accessible surface: 556.847  Positive charged surface: 420.802  Negative charged surface: 136.046  Volume: 298.875
  Hydrophobic surface: 399.368  Hydrophilic surface: 157.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.