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PUBCHEM-ZINC00484330

 MMsINC code: MMs02691392
Type: Neutral
Formula: C18H16ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1cc(C)c(cc1)C)cc(cc2)C
InChI:   InChI=1/C18H16ClNOS/c1-10-4-7-14-15(8-10)22-17(16(14)19)18(21)20-13-6-5-11(2)12(3)9-13/h4-9H,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=77.7016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.851 g/mol  logS: -7.16427  SlogP: 5.73226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0127314  Sterimol/B1: 2.54609  Sterimol/B2: 2.91726  Sterimol/B3: 2.99245
  Sterimol/B4: 6.10076  Sterimol/L: 18.1812 
 
 Surface and Volume Properties
  Accessible surface: 569.001  Positive charged surface: 282.076  Negative charged surface: 281.607  Volume: 304.875
  Hydrophobic surface: 537.333  Hydrophilic surface: 31.668
 
 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.