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PUBCHEM-ZINC03633858

 MMsINC code: MMs03028602
Type: Neutral
Formula: C10H13Cl2OPS2
SMILES:   Clc1cc(Cl)ccc1OP(SCCC)(=S)C
InChI:   InChI=1/C10H13Cl2OPS2/c1-3-6-16-14(2,15)13-10-5-4-8(11)7-9(10)12/h4-5,7H,3,6H2,1-2H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=51.7865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.225 g/mol  logS: -5.41354  SlogP: 5.4547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696764  Sterimol/B1: 2.56284  Sterimol/B2: 3.4346  Sterimol/B3: 4.74742
  Sterimol/B4: 5.47425  Sterimol/L: 15.1701 
 
 Surface and Volume Properties
  Accessible surface: 487.898  Positive charged surface: 197.292  Negative charged surface: 290.607  Volume: 261.5
  Hydrophobic surface: 364.975  Hydrophilic surface: 122.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.