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ASINEX-ZINC01222492

 MMsINC code: MMs00231965
Type: Neutral
Formula: C26H28N2O4S2
SMILES:   s1cccc1CN(S(=O)(=O)c1c(cc(cc1C)C)C)CC1=Cc2cc(OCC)ccc2NC1=O
InChI:   InChI=1/C26H28N2O4S2/c1-5-32-22-8-9-24-20(14-22)13-21(26(29)27-24)15-28(16-23-7-6-10-33-23)34(30,31)25-18(3)11-17(2)12-19(25)4/h6-14H,5,15-16H2,1-4H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=107.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.652 g/mol  logS: -6.6797  SlogP: 5.56506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707859  Sterimol/B1: 2.46622  Sterimol/B2: 4.5255  Sterimol/B3: 4.80212
  Sterimol/B4: 8.35182  Sterimol/L: 20.7145 
 
 Surface and Volume Properties
  Accessible surface: 732.652  Positive charged surface: 431.235  Negative charged surface: 301.416  Volume: 457.25
  Hydrophobic surface: 612.897  Hydrophilic surface: 119.755
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.