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ASINEX-ZINC00857051

 MMsINC code: MMs00195635
Type: Neutral
Formula: C23H25N3O5S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)NCc1ccncc1)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C23H25N3O5S/c1-30-21-9-8-20(14-22(21)31-2)32(28,29)26(16-19-6-4-3-5-7-19)17-23(27)25-15-18-10-12-24-13-11-18/h3-14H,15-17H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=94.8079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.535 g/mol  logS: -3.84943  SlogP: 3.1389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0983893  Sterimol/B1: 2.46287  Sterimol/B2: 3.97268  Sterimol/B3: 4.49168
  Sterimol/B4: 13.3726  Sterimol/L: 16.3911 
 
 Surface and Volume Properties
  Accessible surface: 731.128  Positive charged surface: 515.658  Negative charged surface: 215.47  Volume: 421.25
  Hydrophobic surface: 611.551  Hydrophilic surface: 119.577
 
 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.