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CHEMSTAR-ZINC00670945

 MMsINC code: MMs01076112
Type: Neutral
Formula: C18H15ClN2O3S
SMILES:   Clc1c2c(sc1C(=O)NNC(=O)Cc1ccc(OC)cc1)cccc2
InChI:   InChI=1/C18H15ClN2O3S/c1-24-12-8-6-11(7-9-12)10-15(22)20-21-18(23)17-16(19)13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=93.4162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.848 g/mol  logS: -6.08289  SlogP: 3.56697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263918  Sterimol/B1: 2.77832  Sterimol/B2: 2.9181  Sterimol/B3: 4.57553
  Sterimol/B4: 6.74674  Sterimol/L: 20.558 
 
 Surface and Volume Properties
  Accessible surface: 622.805  Positive charged surface: 334.121  Negative charged surface: 283.475  Volume: 327.875
  Hydrophobic surface: 518.885  Hydrophilic surface: 103.92
 
 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.