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ASINEX-ZINC00853189

 MMsINC code: MMs00193470
Type: Neutral
Formula: C23H23FN2O5S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cc(OC)c(OC)cc1)c1ccc(cc1)C)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O5S/c1-16-4-9-19(10-5-16)26(32(28,29)20-11-6-17(24)7-12-20)15-23(27)25-18-8-13-21(30-2)22(14-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=128.472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.51 g/mol  logS: -5.98839  SlogP: 3.98532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141919  Sterimol/B1: 2.08117  Sterimol/B2: 4.69086  Sterimol/B3: 4.85668
  Sterimol/B4: 11.6228  Sterimol/L: 18.017 
 
 Surface and Volume Properties
  Accessible surface: 735.285  Positive charged surface: 461.723  Negative charged surface: 273.562  Volume: 410.375
  Hydrophobic surface: 638.275  Hydrophilic surface: 97.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.