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ENAMINE-ZINC03438073

 MMsINC code: MMs01442135
Type: Neutral
Formula: C23H20ClF3N2O4S
SMILES:   Clc1ccc(cc1S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccc(OC)cc1)C(F)(F)F
InChI:   InChI=1/C23H20ClF3N2O4S/c1-33-19-9-4-15(5-10-19)13-28-22(30)17-6-2-16(3-7-17)14-29-34(31,32)21-12-18(23(25,26)27)8-11-20(21)24/h2-12,29H,13-14H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 512.936 g/mol  logS: -6.74601  SlogP: 5.6202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386696  Sterimol/B1: 2.44992  Sterimol/B2: 3.97781  Sterimol/B3: 4.77842
  Sterimol/B4: 7.36763  Sterimol/L: 23.4679 
 
 Surface and Volume Properties
  Accessible surface: 765.219  Positive charged surface: 360.66  Negative charged surface: 404.559  Volume: 419.625
  Hydrophobic surface: 523.181  Hydrophilic surface: 242.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.