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ASINEX-ZINC01222668

 MMsINC code: MMs00231991
Type: Neutral
Formula: C26H28N2O4S2
SMILES:   s1cccc1CN(S(=O)(=O)c1ccc(cc1)C(C)(C)C)CC1=Cc2c(NC1=O)cc(OC)c
c2
InChI:   InChI=1/C26H28N2O4S2/c1-26(2,3)20-8-11-23(12-9-20)34(30,31)28(17-22-6-5-13-33-22)16-19-14-18-7-10-21(32-4)15-24(18)27-25(19)29/h5-15H,16-17H2,1-4H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=91.8942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.652 g/mol  logS: -7.57721  SlogP: 5.5472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13129  Sterimol/B1: 3.85295  Sterimol/B2: 4.32614  Sterimol/B3: 8.13332
  Sterimol/B4: 8.94783  Sterimol/L: 15.2298 
 
 Surface and Volume Properties
  Accessible surface: 727.768  Positive charged surface: 433.148  Negative charged surface: 294.621  Volume: 460.375
  Hydrophobic surface: 577.096  Hydrophilic surface: 150.672
 
 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.