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CHEMBRIDGE-ZINC00035575

 MMsINC code: MMs00583939
Type: Neutral
Formula: C17H14ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1cccc(C)c1C)cccc2
InChI:   InChI=1/C17H14ClNOS/c1-10-6-5-8-13(11(10)2)19-17(20)16-15(18)12-7-3-4-9-14(12)21-16/h3-9H,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=77.8003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.824 g/mol  logS: -6.3769  SlogP: 5.42384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131874  Sterimol/B1: 2.6027  Sterimol/B2: 2.84227  Sterimol/B3: 3.1199
  Sterimol/B4: 5.82662  Sterimol/L: 16.7002 
 
 Surface and Volume Properties
  Accessible surface: 528.211  Positive charged surface: 247.746  Negative charged surface: 275.195  Volume: 287.875
  Hydrophobic surface: 504.818  Hydrophilic surface: 23.393
 
 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.