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AURORAFEINCHEMIE-ZINC03921144

 MMsINC code: MMs00457801
Type: Neutral
Formula: C10H8Cl3O4P
SMILES:   ClC=1COP(OCC=1Cl)(Oc1ccc(Cl)cc1)=O
InChI:   InChI=1/C10H8Cl3O4P/c11-7-1-3-8(4-2-7)17-18(14)15-5-9(12)10(13)6-16-18/h1-4H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.6565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.503 g/mol  logS: -4.61863  SlogP: 3.7105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689203  Sterimol/B1: 2.43582  Sterimol/B2: 3.84315  Sterimol/B3: 4.15902
  Sterimol/B4: 4.75159  Sterimol/L: 15.1482 
 
 Surface and Volume Properties
  Accessible surface: 481.026  Positive charged surface: 181.298  Negative charged surface: 299.728  Volume: 241.75
  Hydrophobic surface: 400.244  Hydrophilic surface: 80.782
 
 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.