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CHEMBRIDGE-ZINC02872637

 MMsINC code: MMs00730592
Type: Neutral
Formula: C18H15ClN2O3S
SMILES:   Clc1c2c(sc1C(=O)Nc1cc(NC(=O)C)ccc1)cc(OC)cc2
InChI:   InChI=1/C18H15ClN2O3S/c1-10(22)20-11-4-3-5-12(8-11)21-18(23)17-16(19)14-7-6-13(24-2)9-15(14)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=89.9066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.848 g/mol  logS: -6.00234  SlogP: 4.774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011322  Sterimol/B1: 2.22523  Sterimol/B2: 2.55477  Sterimol/B3: 3.18236
  Sterimol/B4: 7.91528  Sterimol/L: 19.6371 
 
 Surface and Volume Properties
  Accessible surface: 606.971  Positive charged surface: 330.014  Negative charged surface: 272.299  Volume: 325.75
  Hydrophobic surface: 513.86  Hydrophilic surface: 93.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.