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ENAMINE-ZINC03337226

 MMsINC code: MMs01380655
Type: Neutral
Formula: C19H13ClFNO2S
SMILES:   Clc1cc(C(=O)c2ccccc2F)c(NC(=O)Cc2sccc2)cc1
InChI:   InChI=1/C19H13ClFNO2S/c20-12-7-8-17(22-18(23)11-13-4-3-9-25-13)15(10-12)19(24)14-5-1-2-6-16(14)21/h1-10H,11H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=96.3193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.835 g/mol  logS: -6.32509  SlogP: 4.95277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136312  Sterimol/B1: 2.3636  Sterimol/B2: 3.58916  Sterimol/B3: 5.39173
  Sterimol/B4: 8.9668  Sterimol/L: 14.1388 
 
 Surface and Volume Properties
  Accessible surface: 584.884  Positive charged surface: 247.745  Negative charged surface: 337.14  Volume: 323.75
  Hydrophobic surface: 531.113  Hydrophilic surface: 53.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.