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NCID-ZINC01756204

 MMsINC code: MMs02364732
Type: Neutral
Formula: C14H31OP
SMILES:   P(=O)(CCCCCC)(CCCC)CCCC
InChI:   InChI=1/C14H31OP/c1-4-7-10-11-14-16(15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.50639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.375 g/mol  logS: -3.2653  SlogP: 4.4598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604295  Sterimol/B1: 2.99735  Sterimol/B2: 3.20285  Sterimol/B3: 3.66949
  Sterimol/B4: 7.113  Sterimol/L: 17.6391 
 
 Surface and Volume Properties
  Accessible surface: 575.962  Positive charged surface: 435.489  Negative charged surface: 140.473  Volume: 290.375
  Hydrophobic surface: 480.023  Hydrophilic surface: 95.939
 
 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.