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ANALYTICONDISCOVERY-ZINC03839475

 MMsINC code: MMs00026610
Type: Neutral
Formula: C19H15F3N2O3
SMILES:   FC(F)(F)c1cc(ccc1)-c1cc2c(NC(=O)C3N(CC(O)C3)C2=O)cc1
InChI:   InChI=1/C19H15F3N2O3/c20-19(21,22)12-3-1-2-10(6-12)11-4-5-15-14(7-11)18(27)24-9-13(25)8-16(24)17(26)23-15/h1-7,13,16,25H,8-9H2,(H,23,26)/t13-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.334 g/mol  logS: -5.40695  SlogP: 3.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401467  Sterimol/B1: 2.55205  Sterimol/B2: 3.3015  Sterimol/B3: 3.67733
  Sterimol/B4: 7.15528  Sterimol/L: 16.6746 
 
 Surface and Volume Properties
  Accessible surface: 567.619  Positive charged surface: 269.717  Negative charged surface: 286.83  Volume: 309.5
  Hydrophobic surface: 320.741  Hydrophilic surface: 246.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.