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IFLAB-ZINC01071062

 MMsINC code: MMs01983136
Type: Neutral
Formula: C19H16F6N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(
F)F
InChI:   InChI=1/C19H16F6N2O4S/c20-18(21,22)13-9-14(19(23,24)25)11-15(10-13)26-17(28)12-2-1-3-16(8-12)32(29,30)27-4-6-31-7-5-27/h1-3,8-11H,4-7H2,(H,26,28)

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Potential Energy
Epot(MMFF94)=110.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.401 g/mol  logS: -5.67301  SlogP: 4.6204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709702  Sterimol/B1: 2.56099  Sterimol/B2: 3.05031  Sterimol/B3: 5.27625
  Sterimol/B4: 8.23947  Sterimol/L: 17.9278 
 
 Surface and Volume Properties
  Accessible surface: 655.145  Positive charged surface: 285.711  Negative charged surface: 369.434  Volume: 364.5
  Hydrophobic surface: 349.918  Hydrophilic surface: 305.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.