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ASINEX-ZINC00637114

 MMsINC code: MMs00144266
Type: Neutral
Formula: C15H8Cl3NOS
SMILES:   Clc1c(NC(=O)c2sc3c(cccc3)c2Cl)cccc1Cl
InChI:   InChI=1/C15H8Cl3NOS/c16-9-5-3-6-10(13(9)18)19-15(20)14-12(17)8-4-1-2-7-11(8)21-14/h1-7H,(H,19,20)

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Potential Energy
Epot(MMFF94)=71.0143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.66 g/mol  logS: -7.21109  SlogP: 6.1138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107356  Sterimol/B1: 2.77477  Sterimol/B2: 2.80216  Sterimol/B3: 4.18329
  Sterimol/B4: 5.40821  Sterimol/L: 16.2068 
 
 Surface and Volume Properties
  Accessible surface: 530.495  Positive charged surface: 179.883  Negative charged surface: 345.076  Volume: 283.625
  Hydrophobic surface: 503.221  Hydrophilic surface: 27.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.