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ENAMINE-ZINC03473608

 MMsINC code: MMs01462338
Type: Neutral
Formula: C24H23FN2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)Nc1ccccc1Cc1ccccc1
InChI:   InChI=1/C24H23FN2O4S/c25-21-11-10-20(17-23(21)32(29,30)27-12-14-31-15-13-27)24(28)26-22-9-5-4-8-19(22)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,28)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.522 g/mol  logS: -5.65782  SlogP: 3.68967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099577  Sterimol/B1: 2.39213  Sterimol/B2: 3.65724  Sterimol/B3: 5.84761
  Sterimol/B4: 9.12115  Sterimol/L: 17.5168 
 
 Surface and Volume Properties
  Accessible surface: 690.697  Positive charged surface: 409.816  Negative charged surface: 280.88  Volume: 407.75
  Hydrophobic surface: 599.66  Hydrophilic surface: 91.037
 
 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.