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ASINEX-ZINC00228230

 MMsINC code: MMs00094755
Type: Neutral
Formula: C17H11Cl2NOS
SMILES:   Clc1ccc(cc1)-c1ccc(NC(=O)c2sc(Cl)cc2)cc1
InChI:   InChI=1/C17H11Cl2NOS/c18-13-5-1-11(2-6-13)12-3-7-14(8-4-12)20-17(21)15-9-10-16(19)22-15/h1-10H,(H,20,21)

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Potential Energy
Epot(MMFF94)=75.2937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.253 g/mol  logS: -7.36776  SlogP: 5.9742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00801113  Sterimol/B1: 2.55202  Sterimol/B2: 2.91311  Sterimol/B3: 2.99942
  Sterimol/B4: 5.00095  Sterimol/L: 20.2943 
 
 Surface and Volume Properties
  Accessible surface: 569.623  Positive charged surface: 188.536  Negative charged surface: 370.707  Volume: 300.875
  Hydrophobic surface: 529.097  Hydrophilic surface: 40.526
 
 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.