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CHEMDIV-ZINC06798808

 MMsINC code: MMs01027171
Type: Neutral
Formula: C23H19ClN2OS
SMILES:   Clc1ccc(Sc2c3c([nH]c2C(=O)NCc2ccccc2)cc(cc3)C)cc1
InChI:   InChI=1/C23H19ClN2OS/c1-15-7-12-19-20(13-15)26-21(22(19)28-18-10-8-17(24)9-11-18)23(27)25-14-16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=63.6226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.937 g/mol  logS: -7.7952  SlogP: 6.47732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104543  Sterimol/B1: 2.25981  Sterimol/B2: 4.05885  Sterimol/B3: 5.04413
  Sterimol/B4: 11.9366  Sterimol/L: 15.886 
 
 Surface and Volume Properties
  Accessible surface: 690.547  Positive charged surface: 340.844  Negative charged surface: 347.2  Volume: 380.25
  Hydrophobic surface: 633.281  Hydrophilic surface: 57.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.