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CHEMBRIDGE-ZINC00951910

 MMsINC code: MMs00647963
Type: Neutral
Formula: C20H15ClN2O2S
SMILES:   Clc1ccc(cc1)CN1C=Nc2scc(c2C1=O)-c1ccc(OC)cc1
InChI:   InChI=1/C20H15ClN2O2S/c1-25-16-8-4-14(5-9-16)17-11-26-19-18(17)20(24)23(12-22-19)10-13-2-6-15(21)7-3-13/h2-9,11-12H,10H2,1H3

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Potential Energy
Epot(MMFF94)=68.3917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.871 g/mol  logS: -6.9257  SlogP: 5.6593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760105  Sterimol/B1: 2.66952  Sterimol/B2: 3.61263  Sterimol/B3: 4.31462
  Sterimol/B4: 9.6856  Sterimol/L: 14.6584 
 
 Surface and Volume Properties
  Accessible surface: 605.765  Positive charged surface: 313.776  Negative charged surface: 291.988  Volume: 343
  Hydrophobic surface: 537.034  Hydrophilic surface: 68.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.