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ASINEX-ZINC06681021

 MMsINC code: MMs00444696
Type: Neutral
Formula: C18H22N2O4S2
SMILES:   s1cc(S(=O)(=O)N(Cc2ccccc2)C)cc1C(=O)NCC1OCCC1
InChI:   InChI=1/C18H22N2O4S2/c1-20(12-14-6-3-2-4-7-14)26(22,23)16-10-17(25-13-16)18(21)19-11-15-8-5-9-24-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,21)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=47.2699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.516 g/mol  logS: -3.71416  SlogP: 2.744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367552  Sterimol/B1: 2.57345  Sterimol/B2: 2.80823  Sterimol/B3: 4.5002
  Sterimol/B4: 6.4494  Sterimol/L: 20.6458 
 
 Surface and Volume Properties
  Accessible surface: 650.286  Positive charged surface: 399.002  Negative charged surface: 251.284  Volume: 356.75
  Hydrophobic surface: 542.465  Hydrophilic surface: 107.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.