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ASINEX-ZINC02069149

 MMsINC code: MMs00262931
Type: Neutral
Formula: C21H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1)cccc2
InChI:   InChI=1/C21H13Cl2NOS/c22-15-9-5-13(6-10-15)14-7-11-16(12-8-14)24-21(25)20-19(23)17-3-1-2-4-18(17)26-20/h1-12H,(H,24,25)

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Potential Energy
Epot(MMFF94)=95.0331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.313 g/mol  logS: -8.90318  SlogP: 7.1274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00771847  Sterimol/B1: 2.86353  Sterimol/B2: 2.88009  Sterimol/B3: 3.77007
  Sterimol/B4: 4.8782  Sterimol/L: 21.6048 
 
 Surface and Volume Properties
  Accessible surface: 627.639  Positive charged surface: 234.603  Negative charged surface: 377.642  Volume: 348.25
  Hydrophobic surface: 595.077  Hydrophilic surface: 32.562
 
 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.