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PUBCHEM-ZINC05998485

 MMsINC code: MMs03482510
Type: Neutral
Formula: C9H9Cl4O4P
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(OCCCl)(OC)=O
InChI:   InChI=1/C9H9Cl4O4P/c1-15-18(14,16-3-2-10)17-9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3/t18-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.8642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.953 g/mol  logS: -4.53617  SlogP: 3.9653  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.04697  Sterimol/B1: 2.39959  Sterimol/B2: 3.24833  Sterimol/B3: 3.39812
  Sterimol/B4: 7.56441  Sterimol/L: 14.963 
 
 Surface and Volume Properties
  Accessible surface: 504.22  Positive charged surface: 186.229  Negative charged surface: 317.991  Volume: 257.625
  Hydrophobic surface: 393.559  Hydrophilic surface: 110.661
 
 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.