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PUBCHEM-ZINC05512275

 MMsINC code: MMs03292672
Type: Neutral
Formula: C10H23O3P
SMILES:   P(OCC)(OCC)(=O)CCCCCC
InChI:   InChI=1/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.70645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.265 g/mol  logS: -2.34044  SlogP: 2.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439991  Sterimol/B1: 3.19643  Sterimol/B2: 3.45853  Sterimol/B3: 4.98944
  Sterimol/B4: 5.08568  Sterimol/L: 16.0992 
 
 Surface and Volume Properties
  Accessible surface: 508.845  Positive charged surface: 384.801  Negative charged surface: 124.044  Volume: 236.75
  Hydrophobic surface: 404.5  Hydrophilic surface: 104.345
 
 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.