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CHEMBRIDGE-ZINC00935474

 MMsINC code: MMs00645627
Type: Neutral
Formula: C19H17F3N2O2S
SMILES:   S1c2c(NC(=O)C1CC(=O)NC(C)c1ccccc1)cc(cc2)C(F)(F)F
InChI:   InChI=1/C19H17F3N2O2S/c1-11(12-5-3-2-4-6-12)23-17(25)10-16-18(26)24-14-9-13(19(20,21)22)7-8-15(14)27-16/h2-9,11,16H,10H2,1H3,(H,23,25)(H,24,26)/t11-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.5408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.417 g/mol  logS: -5.96336  SlogP: 4.7927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103268  Sterimol/B1: 2.14828  Sterimol/B2: 4.00846  Sterimol/B3: 5.9942
  Sterimol/B4: 6.58964  Sterimol/L: 17.7571 
 
 Surface and Volume Properties
  Accessible surface: 619.389  Positive charged surface: 286.632  Negative charged surface: 332.757  Volume: 335.5
  Hydrophobic surface: 371.013  Hydrophilic surface: 248.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.