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PUBCHEM-ZINC05998392

 MMsINC code: MMs03482434
Type: Neutral
Formula: C9H10Cl3O4P
SMILES:   Clc1cc(OP(OCCCl)(OC)=O)cc(Cl)c1
InChI:   InChI=1/C9H10Cl3O4P/c1-14-17(13,15-3-2-10)16-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3/t17-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.508 g/mol  logS: -3.80188  SlogP: 3.3119  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0455461  Sterimol/B1: 2.32696  Sterimol/B2: 2.84381  Sterimol/B3: 3.38909
  Sterimol/B4: 7.49291  Sterimol/L: 13.7991 
 
 Surface and Volume Properties
  Accessible surface: 498.351  Positive charged surface: 204.894  Negative charged surface: 293.457  Volume: 243
  Hydrophobic surface: 378.162  Hydrophilic surface: 120.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.