[2-(2,5-difluoroanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C26H18N2O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,5-difluoroanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(2,5-difluoroanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C26H18N2O4F2
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc(cc(cc1)F)c1F
InChI	InChI=1S/C26H18F2N2O4/c27-16-8-10-20(28)22(13-16)29-23(31)14-34-26(32)24-18-5-1-2-6-21(18)30-25-15(7-9-19(24)25)12-17-4-3-11-33-17/h1-6,8,10-13H,7,9,14H2,(H,29,31)
InChIK	WFCRDIIXVPVWRT-UHFFFAOYSA-N
TotalMolweight	460.435
Molweight	460.435
MonoisotopicMass	460.123464
CLogP	4.4369
CLogS	-6.255
H Acceptors	6
H Donors	1
TotalSurfaceArea	337.98
Relative PSA	0.21486
PolarSurfaceArea	81.43
Druglikeness	0.24418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
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-(2,5-difluoroanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(2,5-difluoroanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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