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ASINEX-ZINC04832753

 MMsINC code: MMs00375728
Type: Neutral
Formula: C21H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccc(cc1)-c1ccccc1)cccc2Cl
InChI:   InChI=1/C21H13Cl2NOS/c22-16-7-4-8-17-18(16)19(23)20(26-17)21(25)24-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,24,25)

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Potential Energy
Epot(MMFF94)=106.739 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: 0.00822146  Sterimol/B1: 2.65743  Sterimol/B2: 3.05019  Sterimol/B3: 4.48111
  Sterimol/B4: 4.56396  Sterimol/L: 20.3881 
 
 Surface and Volume Properties
  Accessible surface: 616.894  Positive charged surface: 245.471  Negative charged surface: 354.357  Volume: 343.125
  Hydrophobic surface: 585.379  Hydrophilic surface: 31.515
 
 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.