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PUBCHEM-ZINC05761738

 MMsINC code: MMs03375076
Type: Neutral
Formula: C14H11Cl4O3P
SMILES:   Clc1ccccc1OP(Oc1ccccc1Cl)(=O)C(Cl)(Cl)C
InChI:   InChI=1/C14H11Cl4O3P/c1-14(17,18)22(19,20-12-8-4-2-6-10(12)15)21-13-9-5-3-7-11(13)16/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.025 g/mol  logS: -6.45381  SlogP: 6.1453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177435  Sterimol/B1: 2.28573  Sterimol/B2: 4.33257  Sterimol/B3: 4.70415
  Sterimol/B4: 8.53118  Sterimol/L: 12.8771 
 
 Surface and Volume Properties
  Accessible surface: 530.077  Positive charged surface: 196.682  Negative charged surface: 333.394  Volume: 309.5
  Hydrophobic surface: 412.901  Hydrophilic surface: 117.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.