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ENAMINE-ZINC03282338

 MMsINC code: MMs01348646
Type: Neutral
Formula: C16H17ClN2O2S
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)NC(C)(C)C
InChI:   InChI=1/C16H17ClN2O2S/c1-16(2,3)19-14(20)10-6-7-11(17)12(9-10)18-15(21)13-5-4-8-22-13/h4-9H,1-3H3,(H,18,21)(H,19,20)

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Potential Energy
Epot(MMFF94)=75.0928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.843 g/mol  logS: -5.02359  SlogP: 4.1821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342842  Sterimol/B1: 2.3105  Sterimol/B2: 2.88009  Sterimol/B3: 4.91737
  Sterimol/B4: 7.55877  Sterimol/L: 17.4289 
 
 Surface and Volume Properties
  Accessible surface: 572.875  Positive charged surface: 271.385  Negative charged surface: 301.49  Volume: 304.75
  Hydrophobic surface: 462.624  Hydrophilic surface: 110.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.