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PUBCHEM-ZINC05837188

 MMsINC code: MMs03408628
Type: Neutral
Formula: C11H14Cl3O2PS2
SMILES:   Clc1cc(Cl)cc(Cl)c1OP(SCCC)(=S)OCC
InChI:   InChI=1/C11H14Cl3O2PS2/c1-3-5-19-17(18,15-4-2)16-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=62.1429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.696 g/mol  logS: -6.7296  SlogP: 6.4298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582105  Sterimol/B1: 2.48603  Sterimol/B2: 2.5511  Sterimol/B3: 4.41204
  Sterimol/B4: 7.07901  Sterimol/L: 14.5908 
 
 Surface and Volume Properties
  Accessible surface: 526.711  Positive charged surface: 216.428  Negative charged surface: 310.284  Volume: 295.875
  Hydrophobic surface: 402.414  Hydrophilic surface: 124.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.