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PUBCHEM-ZINC03161329

 MMsINC code: MMs03003469
Type: Neutral
Formula: C13H29OP
SMILES:   P(=O)(CCC(C)C)(CCCC)CCCC
InChI:   InChI=1/C13H29OP/c1-5-7-10-15(14,11-8-6-2)12-9-13(3)4/h13H,5-12H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.19723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.348 g/mol  logS: -2.75008  SlogP: 3.9256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105248  Sterimol/B1: 2.49341  Sterimol/B2: 2.93284  Sterimol/B3: 3.91156
  Sterimol/B4: 7.93898  Sterimol/L: 15.1868 
 
 Surface and Volume Properties
  Accessible surface: 524.98  Positive charged surface: 386.894  Negative charged surface: 138.086  Volume: 272.125
  Hydrophobic surface: 415.248  Hydrophilic surface: 109.732
 
 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.