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NCID-ZINC01532338

 MMsINC code: MMs02218862
Type: Neutral
Formula: C10H15O4P
SMILES:   P(Oc1ccccc1)(OCC)(OCC)=O
InChI:   InChI=1/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.6305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.2 g/mol  logS: -2.22244  SlogP: 2.1763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058898  Sterimol/B1: 2.426  Sterimol/B2: 3.05367  Sterimol/B3: 3.5102
  Sterimol/B4: 6.89289  Sterimol/L: 13.7627 
 
 Surface and Volume Properties
  Accessible surface: 451.607  Positive charged surface: 277.87  Negative charged surface: 173.737  Volume: 215.125
  Hydrophobic surface: 351.739  Hydrophilic surface: 99.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.