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ASINEX-ZINC01325692

 MMsINC code: MMs00235147
Type: Neutral
Formula: C19H22N2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)NC2CCCc3c2cccc3)cc1
InChI:   InChI=1/C19H22N2O4S2/c22-26(23,20-15-8-9-15)16-10-12-17(13-11-16)27(24,25)21-19-7-3-5-14-4-1-2-6-18(14)19/h1-2,4,6,10-13,15,19-21H,3,5,7-9H2/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=23.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.527 g/mol  logS: -4.28198  SlogP: 2.57867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107901  Sterimol/B1: 2.4287  Sterimol/B2: 3.37074  Sterimol/B3: 5.90527
  Sterimol/B4: 7.45384  Sterimol/L: 16.6662 
 
 Surface and Volume Properties
  Accessible surface: 633.988  Positive charged surface: 347.659  Negative charged surface: 286.329  Volume: 357.75
  Hydrophobic surface: 437.163  Hydrophilic surface: 196.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.