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ASINEX-ZINC04917541

 MMsINC code: MMs00404466
Type: Neutral
Formula: C21H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccccc1-c1ccccc1)cccc2Cl
InChI:   InChI=1/C21H13Cl2NOS/c22-15-10-6-12-17-18(15)19(23)20(26-17)21(25)24-16-11-5-4-9-14(16)13-7-2-1-3-8-13/h1-12H,(H,24,25)

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Potential Energy
Epot(MMFF94)=103.494 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: 0.031462  Sterimol/B1: 2.55125  Sterimol/B2: 2.80883  Sterimol/B3: 3.35896
  Sterimol/B4: 9.48743  Sterimol/L: 15.8342 
 
 Surface and Volume Properties
  Accessible surface: 597.388  Positive charged surface: 256.751  Negative charged surface: 331.289  Volume: 346.875
  Hydrophobic surface: 574.719  Hydrophilic surface: 22.669
 
 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.