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CHEMSTAR-ZINC00096164

 MMsINC code: MMs01072856
Type: Neutral
Formula: C14H13ClN2O2S
SMILES:   Clc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)N
InChI:   InChI=1/C14H13ClN2O2S/c1-7-8(2)20-14(11(7)12(16)18)17-13(19)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H2,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=73.6911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.789 g/mol  logS: -4.78015  SlogP: 3.36954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219306  Sterimol/B1: 2.93575  Sterimol/B2: 3.20294  Sterimol/B3: 4.37615
  Sterimol/B4: 5.94202  Sterimol/L: 14.8156 
 
 Surface and Volume Properties
  Accessible surface: 518.42  Positive charged surface: 257.028  Negative charged surface: 261.392  Volume: 268.25
  Hydrophobic surface: 400.368  Hydrophilic surface: 118.052
 
 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.