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ASINEX-ZINC00803433

 MMsINC code: MMs00171393
Type: Neutral
Formula: C18H12Cl2N2O2S
SMILES:   Clc1c(cccc1Cl)C(=O)Nc1ccc(NC(=O)c2sccc2)cc1
InChI:   InChI=1/C18H12Cl2N2O2S/c19-14-4-1-3-13(16(14)20)17(23)21-11-6-8-12(9-7-11)22-18(24)15-5-2-10-25-15/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=99.9481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.278 g/mol  logS: -6.60011  SlogP: 5.5595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154953  Sterimol/B1: 2.29838  Sterimol/B2: 3.34777  Sterimol/B3: 3.81512
  Sterimol/B4: 5.71067  Sterimol/L: 20.1292 
 
 Surface and Volume Properties
  Accessible surface: 602.19  Positive charged surface: 243.686  Negative charged surface: 358.503  Volume: 328.125
  Hydrophobic surface: 534.524  Hydrophilic surface: 67.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.