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AURORAFEINCHEMIE-ZINC02391258

 MMsINC code: MMs00452897
Type: Neutral
Formula: C7H6Cl3O2P
SMILES:   ClC(Cl)(Cl)P(O)(=O)c1ccccc1
InChI:   InChI=1/C7H6Cl3O2P/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.456 g/mol  logS: -3.29922  SlogP: 2.2597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145626  Sterimol/B1: 3.59065  Sterimol/B2: 3.6668  Sterimol/B3: 3.78287
  Sterimol/B4: 4.02981  Sterimol/L: 11.76 
 
 Surface and Volume Properties
  Accessible surface: 385.342  Positive charged surface: 102.129  Negative charged surface: 283.213  Volume: 191.75
  Hydrophobic surface: 165.712  Hydrophilic surface: 219.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.