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ENAMINE-ZINC03449332

 MMsINC code: MMs01449449
Type: Neutral
Formula: C24H21FN2O5S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC(=O)N1CCc2c1cccc2)=O)c1ccc(F)cc1C
InChI:   InChI=1/C24H21FN2O5S/c1-16-14-18(25)10-11-22(16)33(30,31)26-20-8-4-3-7-19(20)24(29)32-15-23(28)27-13-12-17-6-2-5-9-21(17)27/h2-11,14,26H,12-13,15H2,1H3

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Potential Energy
Epot(MMFF94)=129.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.505 g/mol  logS: -5.95821  SlogP: 3.68099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307913  Sterimol/B1: 2.57089  Sterimol/B2: 2.94671  Sterimol/B3: 5.57168
  Sterimol/B4: 8.66672  Sterimol/L: 19.8732 
 
 Surface and Volume Properties
  Accessible surface: 711.454  Positive charged surface: 383.17  Negative charged surface: 328.283  Volume: 407.375
  Hydrophobic surface: 582.038  Hydrophilic surface: 129.416
 
 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.