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ENAMINE-ZINC03315186

 MMsINC code: MMs01366447
Type: Neutral
Formula: C24H23FN2O4S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1
InChI:   InChI=1/C24H23FN2O4S/c25-19-9-7-18(8-10-19)17-31-23-6-2-1-5-22(23)24(28)26-20-11-13-21(14-12-20)32(29,30)27-15-3-4-16-27/h1-2,5-14H,3-4,15-17H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.522 g/mol  logS: -5.93407  SlogP: 4.7079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641514  Sterimol/B1: 2.55441  Sterimol/B2: 3.79553  Sterimol/B3: 5.01824
  Sterimol/B4: 11.6952  Sterimol/L: 17.1494 
 
 Surface and Volume Properties
  Accessible surface: 740.01  Positive charged surface: 428.092  Negative charged surface: 311.918  Volume: 410.625
  Hydrophobic surface: 646.734  Hydrophilic surface: 93.276
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.