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ASINEX-ZINC06680447

 MMsINC code: MMs00444258
Type: Neutral
Formula: C14H18N2O3S3
SMILES:   s1cc(S(=O)(=O)N(CC)CC)cc1C(=O)NCc1sccc1
InChI:   InChI=1/C14H18N2O3S3/c1-3-16(4-2)22(18,19)12-8-13(21-10-12)14(17)15-9-11-6-5-7-20-11/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=15.9718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.507 g/mol  logS: -3.48023  SlogP: 3.0365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065539  Sterimol/B1: 2.48429  Sterimol/B2: 2.63284  Sterimol/B3: 5.23069
  Sterimol/B4: 6.3311  Sterimol/L: 17.6626 
 
 Surface and Volume Properties
  Accessible surface: 584.145  Positive charged surface: 285.987  Negative charged surface: 298.158  Volume: 313.25
  Hydrophobic surface: 437.849  Hydrophilic surface: 146.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.