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ASINEX-ZINC00636987

 MMsINC code: MMs00144239
Type: Neutral
Formula: C17H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1cc(C)c(cc1)C)cc(Cl)cc2
InChI:   InChI=1/C17H13Cl2NOS/c1-9-3-5-12(7-10(9)2)20-17(21)16-15(19)13-6-4-11(18)8-14(13)22-16/h3-8H,1-2H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=72.2083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.269 g/mol  logS: -7.42464  SlogP: 6.07724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0162618  Sterimol/B1: 2.94167  Sterimol/B2: 2.97543  Sterimol/B3: 4.02967
  Sterimol/B4: 4.73856  Sterimol/L: 18.2708 
 
 Surface and Volume Properties
  Accessible surface: 568.736  Positive charged surface: 236.643  Negative charged surface: 327.258  Volume: 304.125
  Hydrophobic surface: 535.261  Hydrophilic surface: 33.475
 
 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.