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PUBCHEM-ZINC05998419

 MMsINC code: MMs03482458
Type: Neutral
Formula: C8H9Cl2O2PS
SMILES:   Clc1ccc(Cl)cc1OP(=S)(OC)C
InChI:   InChI=1/C8H9Cl2O2PS/c1-11-13(2,14)12-8-5-6(9)3-4-7(8)10/h3-5H,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=45.4736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.104 g/mol  logS: -4.03532  SlogP: 3.9579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052574  Sterimol/B1: 2.93129  Sterimol/B2: 3.92307  Sterimol/B3: 4.53839
  Sterimol/B4: 5.38197  Sterimol/L: 12.3956 
 
 Surface and Volume Properties
  Accessible surface: 423.724  Positive charged surface: 178.242  Negative charged surface: 245.482  Volume: 214.75
  Hydrophobic surface: 344.411  Hydrophilic surface: 79.313
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.