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ENAMINE-ZINC03454046

 MMsINC code: MMs01452775
Type: Neutral
Formula: C19H18F4N2O3S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCc1ccc(F)cc1)c1ccccc1C(F)(F)F
InChI:   InChI=1/C19H18F4N2O3S/c20-14-9-7-13(8-10-14)12-24-18(26)16-5-3-11-25(16)29(27,28)17-6-2-1-4-15(17)19(21,22)23/h1-2,4,6-10,16H,3,5,11-12H2,(H,24,26)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.5697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.422 g/mol  logS: -5.14282  SlogP: 3.8919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163374  Sterimol/B1: 2.70537  Sterimol/B2: 2.97095  Sterimol/B3: 6.13441
  Sterimol/B4: 8.23154  Sterimol/L: 15.2645 
 
 Surface and Volume Properties
  Accessible surface: 616.087  Positive charged surface: 321.747  Negative charged surface: 294.34  Volume: 350
  Hydrophobic surface: 476.985  Hydrophilic surface: 139.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.