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ENAMINE-ZINC06566605

 MMsINC code: MMs01675554
Type: Neutral
Formula: C14H12ClFN2O2S
SMILES:   Clc1cccc(F)c1CC(=O)Nc1sc(C(=O)C)c(n1)C
InChI:   InChI=1/C14H12ClFN2O2S/c1-7-13(8(2)19)21-14(17-7)18-12(20)6-9-10(15)4-3-5-11(9)16/h3-5H,6H2,1-2H3,(H,17,18,20)

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Potential Energy
Epot(MMFF94)=51.453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.779 g/mol  logS: -4.69556  SlogP: 3.62779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592736  Sterimol/B1: 1.99176  Sterimol/B2: 3.91881  Sterimol/B3: 4.68864
  Sterimol/B4: 6.26343  Sterimol/L: 16.021 
 
 Surface and Volume Properties
  Accessible surface: 530.945  Positive charged surface: 259.403  Negative charged surface: 271.542  Volume: 272.375
  Hydrophobic surface: 445.638  Hydrophilic surface: 85.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.