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CHEMDIV-ZINC05036535

 MMsINC code: MMs00982235
Type: Neutral
Formula: C16H15ClN2OS
SMILES:   Clc1sc2cc(n(c2c1)C)C(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C16H15ClN2OS/c1-3-10-4-6-11(7-5-10)18-16(20)13-8-14-12(19(13)2)9-15(17)21-14/h4-9H,3H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=63.2327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.828 g/mol  logS: -5.34894  SlogP: 5.06707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234213  Sterimol/B1: 2.37277  Sterimol/B2: 3.44061  Sterimol/B3: 3.66609
  Sterimol/B4: 4.71523  Sterimol/L: 19.1633 
 
 Surface and Volume Properties
  Accessible surface: 551.296  Positive charged surface: 271.669  Negative charged surface: 279.627  Volume: 290.75
  Hydrophobic surface: 490.682  Hydrophilic surface: 60.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.