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ASINEX-ZINC04487987

 MMsINC code: MMs00341605
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   s1cccc1S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCCOC
InChI:   InChI=1/C15H18N2O4S2/c1-17(23(19,20)14-4-3-11-22-14)13-7-5-12(6-8-13)15(18)16-9-10-21-2/h3-8,11H,9-10H2,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=88.2025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.37608  SlogP: 1.9494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420893  Sterimol/B1: 2.49143  Sterimol/B2: 3.18386  Sterimol/B3: 4.64006
  Sterimol/B4: 7.81165  Sterimol/L: 15.793 
 
 Surface and Volume Properties
  Accessible surface: 586.94  Positive charged surface: 353.385  Negative charged surface: 233.555  Volume: 310.75
  Hydrophobic surface: 481.292  Hydrophilic surface: 105.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.