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ASINEX-ZINC00555042

MMsINC code: MMs00139199

Type: Neutral
Formula: C19H12F2N2O2
SMILES:   Fc1cc(F)ccc1NC(=O)CN1c2c3c(cccc3ccc2)C1=O
InChI:   InChI=1/C19H12F2N2O2/c20-12-7-8-15(14(21)9-12)22-17(24)10-23-16-6-2-4-11-3-1-5-13(18(11)16)19(23)25/h1-9H,10H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=102.635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.313 g/mol  logS: -6.06765  SlogP: 3.7169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110042  Sterimol/B1: 3.0987  Sterimol/B2: 3.22939  Sterimol/B3: 4.89343
  Sterimol/B4: 6.7152  Sterimol/L: 15.5629 
 
 Surface and Volume Properties
  Accessible surface: 553.232  Positive charged surface: 277.63  Negative charged surface: 264.781  Volume: 293.375
  Hydrophobic surface: 472.668  Hydrophilic surface: 80.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.