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

Formula:C22H17N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H17N2O4F3
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCC(F)(F)F
InChI	InChI=1S/C22H17F3N2O4/c23-22(24,25)12-26-18(28)11-31-21(29)19-15-5-1-2-6-17(15)27-20-13(7-8-16(19)20)10-14-4-3-9-30-14/h1-6,9-10H,7-8,11-12H2,(H,26,28)
InChIK	ZJTCWZQXFTTYHO-UHFFFAOYSA-N
TotalMolweight	430.381
Molweight	430.381
MonoisotopicMass	430.114042
CLogP	3.4172
CLogS	-5.16
H Acceptors	6
H Donors	1
TotalSurfaceArea	308.74
Relative PSA	0.23521
PolarSurfaceArea	81.43
Druglikeness	-5.1459
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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