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NCID-ZINC01756230

 MMsINC code: MMs02364748
Type: Neutral
Formula: C13H29OP
SMILES:   P(=O)(CCCCCC)(CCCCCC)C
InChI:   InChI=1/C13H29OP/c1-4-6-8-10-12-15(3,14)13-11-9-7-5-2/h4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.25717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.348 g/mol  logS: -3.25154  SlogP: 4.0697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275658  Sterimol/B1: 3.0489  Sterimol/B2: 3.203  Sterimol/B3: 3.56647
  Sterimol/B4: 4.03255  Sterimol/L: 20.2001 
 
 Surface and Volume Properties
  Accessible surface: 556.586  Positive charged surface: 424.794  Negative charged surface: 131.792  Volume: 273.125
  Hydrophobic surface: 466.285  Hydrophilic surface: 90.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.