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MAYBRIDGE-ZINC00156557

 MMsINC code: MMs02143167
Type: Neutral
Formula: C18H20ClNO2S
SMILES:   Clc1ccc(SC(CC(=O)Nc2ccc(OC)cc2)(C)C)cc1
InChI:   InChI=1/C18H20ClNO2S/c1-18(2,23-16-10-4-13(19)5-11-16)12-17(21)20-14-6-8-15(22-3)9-7-14/h4-11H,12H2,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=142.104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.882 g/mol  logS: -5.72372  SlogP: 5.2481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123776  Sterimol/B1: 2.9182  Sterimol/B2: 3.5746  Sterimol/B3: 4.61029
  Sterimol/B4: 8.18413  Sterimol/L: 16.2579 
 
 Surface and Volume Properties
  Accessible surface: 595.804  Positive charged surface: 340.399  Negative charged surface: 255.405  Volume: 327.25
  Hydrophobic surface: 502.754  Hydrophilic surface: 93.05
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.