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ASINEX-ZINC04941396

 MMsINC code: MMs00406727
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(=O)NCCCOC
InChI:   InChI=1/C15H18N2O4S2/c1-21-10-5-9-16-15(18)12-6-2-3-7-13(12)17-23(19,20)14-8-4-11-22-14/h2-4,6-8,11,17H,5,9-10H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=58.1382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.50227  SlogP: 2.3152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965562  Sterimol/B1: 4.29966  Sterimol/B2: 4.82734  Sterimol/B3: 4.8873
  Sterimol/B4: 6.20142  Sterimol/L: 16.623 
 
 Surface and Volume Properties
  Accessible surface: 589.695  Positive charged surface: 361.074  Negative charged surface: 228.622  Volume: 310.75
  Hydrophobic surface: 476.413  Hydrophilic surface: 113.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.