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ENAMINE-ZINC03524840

 MMsINC code: MMs01491103
Type: Neutral
Formula: C23H23FN2O5S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1F
InChI:   InChI=1/C23H23FN2O5S/c1-30-19-12-18(13-20(14-19)31-2)25-23(27)16-26(15-17-8-4-3-5-9-17)32(28,29)22-11-7-6-10-21(22)24/h3-14H,15-16H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=105.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.51 g/mol  logS: -5.45851  SlogP: 3.9389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982039  Sterimol/B1: 3.29136  Sterimol/B2: 4.24247  Sterimol/B3: 6.42251
  Sterimol/B4: 8.53916  Sterimol/L: 18.1926 
 
 Surface and Volume Properties
  Accessible surface: 700.063  Positive charged surface: 449.664  Negative charged surface: 250.4  Volume: 409.375
  Hydrophobic surface: 600.239  Hydrophilic surface: 99.824
 
 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.