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PUBCHEM-ZINC01445010

 MMsINC code: MMs02806320
Type: Neutral
Formula: C11H17O3P
SMILES:   P(OCC)(OCC)c1ccc(OC)cc1
InChI:   InChI=1/C11H17O3P/c1-4-13-15(14-5-2)11-8-6-10(12-3)7-9-11/h6-9H,4-5H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.4356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.228 g/mol  logS: -2.28952  SlogP: 2.7054  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0797118  Sterimol/B1: 2.39236  Sterimol/B2: 2.47162  Sterimol/B3: 4.2701
  Sterimol/B4: 8.14541  Sterimol/L: 14.3615 
 
 Surface and Volume Properties
  Accessible surface: 480.032  Positive charged surface: 365.734  Negative charged surface: 114.298  Volume: 228.125
  Hydrophobic surface: 419.537  Hydrophilic surface: 60.495
 
 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.