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ASINEX-ZINC00839918

 MMsINC code: MMs00187601
Type: Neutral
Formula: C22H23N3O5S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cccnc1)c1ccc(cc1)C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C22H23N3O5S/c1-16-6-8-18(9-7-16)25(15-22(26)24-17-5-4-12-23-14-17)31(27,28)19-10-11-20(29-2)21(13-19)30-3/h4-14H,15H2,1-3H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=134.556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.508 g/mol  logS: -4.43527  SlogP: 3.24122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966422  Sterimol/B1: 2.01481  Sterimol/B2: 3.14717  Sterimol/B3: 4.95924
  Sterimol/B4: 11.5849  Sterimol/L: 18.1473 
 
 Surface and Volume Properties
  Accessible surface: 712.938  Positive charged surface: 498.747  Negative charged surface: 214.191  Volume: 401.125
  Hydrophobic surface: 600.135  Hydrophilic surface: 112.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.