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ASINEX-ZINC00863032

 MMsINC code: MMs00198253
Type: Neutral
Formula: C20H13ClFNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1c3c(ccc1C)cccc3)cc(F)cc2
InChI:   InChI=1/C20H13ClFNOS/c1-11-6-7-12-4-2-3-5-14(12)18(11)23-20(24)19-17(21)15-9-8-13(22)10-16(15)25-19/h2-10H,1H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=92.4549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.847 g/mol  logS: -8.07584  SlogP: 6.40772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602643  Sterimol/B1: 2.36097  Sterimol/B2: 3.3088  Sterimol/B3: 5.26266
  Sterimol/B4: 8.25384  Sterimol/L: 16.8092 
 
 Surface and Volume Properties
  Accessible surface: 573.955  Positive charged surface: 243.388  Negative charged surface: 316.433  Volume: 321.625
  Hydrophobic surface: 550.624  Hydrophilic surface: 23.331
 
 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.