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CHEMDIV-ZINC06820230

MMsINC code: MMs01043556

Type: Neutral
Formula: C19H13F2NO
SMILES:   Fc1cc(cc(F)c1)C1CC(=O)Nc2c1ccc1c2cccc1
InChI:   InChI=1/C19H13F2NO/c20-13-7-12(8-14(21)9-13)17-10-18(23)22-19-15-4-2-1-3-11(15)5-6-16(17)19/h1-9,17H,10H2,(H,22,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.8213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.315 g/mol  logS: -5.76306  SlogP: 4.5921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204049  Sterimol/B1: 3.41272  Sterimol/B2: 4.37105  Sterimol/B3: 5.23365
  Sterimol/B4: 5.47225  Sterimol/L: 13.9436 
 
 Surface and Volume Properties
  Accessible surface: 505.196  Positive charged surface: 234.885  Negative charged surface: 259.24  Volume: 277
  Hydrophobic surface: 451.163  Hydrophilic surface: 54.033
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.