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MAYBRIDGE-ZINC01039689

 MMsINC code: MMs02153369
Type: Neutral
Formula: C20H16F3NO4S2
SMILES:   s1c(C(F)(F)F)c(-c2ccccc2)c(S(=O)(=O)Nc2ccccc2C)c1C(OC)=O
InChI:   InChI=1/C20H16F3NO4S2/c1-12-8-6-7-11-14(12)24-30(26,27)17-15(13-9-4-3-5-10-13)18(20(21,22)23)29-16(17)19(25)28-2/h3-11,24H,1-2H3

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Potential Energy
Epot(MMFF94)=98.2974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.477 g/mol  logS: -7.03144  SlogP: 5.64122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242064  Sterimol/B1: 3.38878  Sterimol/B2: 4.52257  Sterimol/B3: 4.84683
  Sterimol/B4: 7.78819  Sterimol/L: 14.3742 
 
 Surface and Volume Properties
  Accessible surface: 589.208  Positive charged surface: 291.101  Negative charged surface: 298.107  Volume: 364
  Hydrophobic surface: 432.114  Hydrophilic surface: 157.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.