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PUBCHEM-ZINC02560650

 MMsINC code: MMs02901104
Type: Neutral
Formula: C11H17O3P
SMILES:   P(OCC)(OCC)(=O)c1ccccc1C
InChI:   InChI=1/C11H17O3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.9305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.228 g/mol  logS: -2.25013  SlogP: 1.81622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197618  Sterimol/B1: 2.36148  Sterimol/B2: 2.88458  Sterimol/B3: 5.08557
  Sterimol/B4: 7.90761  Sterimol/L: 11.967 
 
 Surface and Volume Properties
  Accessible surface: 457.15  Positive charged surface: 286.976  Negative charged surface: 170.174  Volume: 224
  Hydrophobic surface: 381.185  Hydrophilic surface: 75.965
 
 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.