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NCID-ZINC01626905

 MMsINC code: MMs02273231
Type: Neutral
Formula: C13H13O4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(OC)=O
InChI:   InChI=1/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.217 g/mol  logS: -3.2701  SlogP: 2.8287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431042  Sterimol/B1: 2.20571  Sterimol/B2: 2.87549  Sterimol/B3: 3.09936
  Sterimol/B4: 6.56637  Sterimol/L: 14.5267 
 
 Surface and Volume Properties
  Accessible surface: 463.545  Positive charged surface: 257.362  Negative charged surface: 206.183  Volume: 239.5
  Hydrophobic surface: 411.556  Hydrophilic surface: 51.989
 
 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.