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ENAMINE-ZINC03325059

 MMsINC code: MMs01372580
Type: Neutral
Formula: C23H19F4N3O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cc(F)c(F)cc1)CC(=O)Nc1cc(F)c(F)cc1)c1cc
c(cc1)C
InChI:   InChI=1/C23H19F4N3O4S/c1-14-2-6-17(7-3-14)35(33,34)30(12-22(31)28-15-4-8-18(24)20(26)10-15)13-23(32)29-16-5-9-19(25)21(27)11-16/h2-11H,12-13H2,1H3,(H,28,31)(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.48 g/mol  logS: -6.94514  SlogP: 3.81952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100103  Sterimol/B1: 2.44697  Sterimol/B2: 3.32563  Sterimol/B3: 5.59639
  Sterimol/B4: 9.77043  Sterimol/L: 18.5223 
 
 Surface and Volume Properties
  Accessible surface: 740.09  Positive charged surface: 363.031  Negative charged surface: 377.059  Volume: 416
  Hydrophobic surface: 623.748  Hydrophilic surface: 116.342
 
 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: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.