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ENAMINE-ZINC05266873

MMsINC code: MMs01605491

Type: Neutral
Formula: C18H14F2N2O3
SMILES:   FC(F)Oc1ccc(cc1OC)\C=C\C=1NC(=O)c2c(N=1)cccc2
InChI:   InChI=1/C18H14F2N2O3/c1-24-15-10-11(6-8-14(15)25-18(19)20)7-9-16-21-13-5-3-2-4-12(13)17(23)22-16/h2-10,18H,1H3,(H,21,22,23)/b9-7+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=79.8356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.317 g/mol  logS: -4.6498  SlogP: 4.2033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00551779  Sterimol/B1: 2.30034  Sterimol/B2: 2.63133  Sterimol/B3: 2.64567
  Sterimol/B4: 8.24689  Sterimol/L: 18.1411 
 
 Surface and Volume Properties
  Accessible surface: 580.754  Positive charged surface: 330.232  Negative charged surface: 250.522  Volume: 302.25
  Hydrophobic surface: 401.155  Hydrophilic surface: 179.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.