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PUBCHEM-ZINC05761735

 MMsINC code: MMs03375073
Type: Neutral
Formula: C14H11Cl4O3P
SMILES:   Clc1ccc(OP(Oc2ccc(Cl)cc2)(=O)C(Cl)(Cl)C)cc1
InChI:   InChI=1/C14H11Cl4O3P/c1-14(17,18)22(19,20-12-6-2-10(15)3-7-12)21-13-8-4-11(16)5-9-13/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1026 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: 0.142222  Sterimol/B1: 2.31022  Sterimol/B2: 3.25323  Sterimol/B3: 4.68503
  Sterimol/B4: 9.12692  Sterimol/L: 14.3106 
 
 Surface and Volume Properties
  Accessible surface: 553.493  Positive charged surface: 187.086  Negative charged surface: 366.407  Volume: 308.375
  Hydrophobic surface: 427.755  Hydrophilic surface: 125.738
 
 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.