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PUBCHEM-ZINC05650982

 MMsINC code: MMs03337278
Type: Neutral
Formula: C10H12Cl3OPS
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(=S)(CC)CC
InChI:   InChI=1/C10H12Cl3OPS/c1-3-15(16,4-2)14-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.9024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.604 g/mol  logS: -5.16947  SlogP: 5.4599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146992  Sterimol/B1: 2.3065  Sterimol/B2: 3.94524  Sterimol/B3: 5.72553
  Sterimol/B4: 5.75824  Sterimol/L: 13.1719 
 
 Surface and Volume Properties
  Accessible surface: 475.073  Positive charged surface: 177.251  Negative charged surface: 297.821  Volume: 254.25
  Hydrophobic surface: 386.546  Hydrophilic surface: 88.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.