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ASINEX-ZINC01221887

 MMsINC code: MMs00231803
Type: Neutral
Formula: C24H21FN2O4S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)Cc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C24H21FN2O4S/c1-31-21-9-12-23-18(14-21)13-19(24(28)26-23)16-27(15-17-5-3-2-4-6-17)32(29,30)22-10-7-20(25)8-11-22/h2-14H,15-16H2,1H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=74.892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.506 g/mol  logS: -6.04594  SlogP: 4.3273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771125  Sterimol/B1: 3.88933  Sterimol/B2: 3.97977  Sterimol/B3: 4.23966
  Sterimol/B4: 6.33282  Sterimol/L: 18.745 
 
 Surface and Volume Properties
  Accessible surface: 645.287  Positive charged surface: 360.327  Negative charged surface: 284.961  Volume: 404.125
  Hydrophobic surface: 527.02  Hydrophilic surface: 118.267
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.