[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C26H17N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C26H17N2O4F3
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc(c(F)c1F)ccc1F
InChI	InChI=1S/C26H17F3N2O4/c27-18-9-10-20(24(29)23(18)28)30-21(32)13-35-26(33)22-16-5-1-2-6-19(16)31-25-14(7-8-17(22)25)12-15-4-3-11-34-15/h1-6,9-12H,7-8,13H2,(H,30,32)
InChIK	ROSQQOYIFJGNFT-UHFFFAOYSA-N
TotalMolweight	478.425
Molweight	478.425
MonoisotopicMass	478.114042
CLogP	4.5377
CLogS	-6.569
H Acceptors	6
H Donors	1
TotalSurfaceArea	344.33
Relative PSA	0.2109
PolarSurfaceArea	81.43
Druglikeness	0.24418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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