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ASINEX-ZINC00097492

 MMsINC code: MMs00074259
Type: Neutral
Formula: C14H8Cl2N2OS
SMILES:   Clc1c2c(sc1C(=O)Nc1ncc(Cl)cc1)cccc2
InChI:   InChI=1/C14H8Cl2N2OS/c15-8-5-6-11(17-7-8)18-14(19)13-12(16)9-3-1-2-4-10(9)20-13/h1-7H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=51.7882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.203 g/mol  logS: -5.52992  SlogP: 4.8554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000382097  Sterimol/B1: 2.14505  Sterimol/B2: 2.30916  Sterimol/B3: 4.22302
  Sterimol/B4: 4.66754  Sterimol/L: 17.2256 
 
 Surface and Volume Properties
  Accessible surface: 512.967  Positive charged surface: 210.451  Negative charged surface: 296.981  Volume: 263.75
  Hydrophobic surface: 461.882  Hydrophilic surface: 51.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.