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IFLAB-ZINC04519444

 MMsINC code: MMs02058582
Type: Neutral
Formula: C19H15F2NO3S2
SMILES:   s1cccc1C(S(=O)(=O)c1ccccc1)CNC(=O)c1c(F)cccc1F
InChI:   InChI=1/C19H15F2NO3S2/c20-14-8-4-9-15(21)18(14)19(23)22-12-17(16-10-5-11-26-16)27(24,25)13-6-2-1-3-7-13/h1-11,17H,12H2,(H,22,23)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=70.0419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.461 g/mol  logS: -5.63057  SlogP: 4.0668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895804  Sterimol/B1: 2.63578  Sterimol/B2: 3.41736  Sterimol/B3: 4.24839
  Sterimol/B4: 7.83806  Sterimol/L: 15.9496 
 
 Surface and Volume Properties
  Accessible surface: 605.564  Positive charged surface: 274.623  Negative charged surface: 330.941  Volume: 341.125
  Hydrophobic surface: 531.619  Hydrophilic surface: 73.945
 
 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.