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CHEMDIV-ZINC05036374

 MMsINC code: MMs00982151
Type: Neutral
Formula: C22H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C22H19FN2OS/c1-15(17-5-3-2-4-6-17)24-22(26)20-13-21-19(11-12-27-21)25(20)14-16-7-9-18(23)10-8-16/h2-13,15H,14H2,1H3,(H,24,26)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=57.2609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.471 g/mol  logS: -5.64838  SlogP: 5.7431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670916  Sterimol/B1: 2.54427  Sterimol/B2: 3.49702  Sterimol/B3: 4.49329
  Sterimol/B4: 8.51412  Sterimol/L: 16.6295 
 
 Surface and Volume Properties
  Accessible surface: 621.826  Positive charged surface: 298.657  Negative charged surface: 323.169  Volume: 355.875
  Hydrophobic surface: 566.306  Hydrophilic surface: 55.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.