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ASINEX-ZINC00048753

 MMsINC code: MMs00064469
Type: Neutral
Formula: C15H16N2O2S2
SMILES:   s1c2c(CCCC2)c(C(=O)NC)c1NC(=O)c1sccc1
InChI:   InChI=1/C15H16N2O2S2/c1-16-14(19)12-9-5-2-3-6-10(9)21-15(12)17-13(18)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=46.8927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.437 g/mol  logS: -4.36149  SlogP: 3.30024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312514  Sterimol/B1: 2.01498  Sterimol/B2: 2.57771  Sterimol/B3: 3.67345
  Sterimol/B4: 8.91393  Sterimol/L: 15.5757 
 
 Surface and Volume Properties
  Accessible surface: 544.08  Positive charged surface: 333.014  Negative charged surface: 211.066  Volume: 287.375
  Hydrophobic surface: 465.849  Hydrophilic surface: 78.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.