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PUBCHEM-ZINC05701255

 MMsINC code: MMs03353398
Type: Neutral
Formula: C8H11O4P
SMILES:   P(Oc1ccccc1)(OC)(OC)=O
InChI:   InChI=1/C8H11O4P/c1-10-13(9,11-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.146 g/mol  logS: -1.56802  SlogP: 1.3961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449588  Sterimol/B1: 2.29064  Sterimol/B2: 2.62848  Sterimol/B3: 3.05699
  Sterimol/B4: 6.04268  Sterimol/L: 12.3999 
 
 Surface and Volume Properties
  Accessible surface: 387.211  Positive charged surface: 251.265  Negative charged surface: 135.946  Volume: 181.375
  Hydrophobic surface: 329.544  Hydrophilic surface: 57.667
 
 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.