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PUBCHEM-ZINC01502649

 MMsINC code: MMs02812356
Type: Neutral
Formula: C19H17F3N2O3S
SMILES:   S(=O)(=O)(C)c1cc2cc(n(c2cc1)C)C(=O)NCc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C19H17F3N2O3S/c1-24-16-7-6-15(28(2,26)27)9-13(16)10-17(24)18(25)23-11-12-4-3-5-14(8-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=58.2991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.416 g/mol  logS: -4.83298  SlogP: 4.4677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658244  Sterimol/B1: 1.969  Sterimol/B2: 3.82521  Sterimol/B3: 4.52992
  Sterimol/B4: 8.71554  Sterimol/L: 17.1068 
 
 Surface and Volume Properties
  Accessible surface: 641.722  Positive charged surface: 300.858  Negative charged surface: 335.984  Volume: 342.375
  Hydrophobic surface: 425.147  Hydrophilic surface: 216.575
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.