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PUBCHEM-ZINC06656537

 MMsINC code: MMs03836272
Type: Neutral
Formula: C12H27O3P
SMILES:   P(OCCCC)(OCCCC)OCCCC
InChI:   InChI=1/C12H29O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12,16H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.335 g/mol  logS: -4.10992  SlogP: 4.128  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0407635  Sterimol/B1: 2.33032  Sterimol/B2: 2.79846  Sterimol/B3: 3.26884
  Sterimol/B4: 10.435  Sterimol/L: 16.267 
 
 Surface and Volume Properties
  Accessible surface: 593.326  Positive charged surface: 444.342  Negative charged surface: 148.984  Volume: 278.625
  Hydrophobic surface: 499.821  Hydrophilic surface: 93.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.