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AURORAFEINCHEMIE-ZINC02391277

 MMsINC code: MMs00452907
Type: Neutral
Formula: C9H11O3P
SMILES:   P(OC)(=O)(C(=O)c1ccccc1)C
InChI:   InChI=1/C9H11O3P/c1-12-13(2,11)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.8187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.158 g/mol  logS: -1.51203  SlogP: 1.3109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061682  Sterimol/B1: 3.06504  Sterimol/B2: 3.60642  Sterimol/B3: 3.81851
  Sterimol/B4: 4.29564  Sterimol/L: 12.7 
 
 Surface and Volume Properties
  Accessible surface: 394.621  Positive charged surface: 230.517  Negative charged surface: 164.104  Volume: 184
  Hydrophobic surface: 303.329  Hydrophilic surface: 91.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.