(E)-3-(furan-2-yl)-N-[2-oxo-2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylamino]ethyl]prop-2-enamide

Formula:C21H18N3O3F3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[2-oxo-2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylamino]ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[2-oxo-2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylamino]ethyl]prop-2-enamide
MolecularFormula	C21H18N3O3F3S
Smiles	O=C(CNC(/C=C/c1ccco1)=O)NCCSc1cc(C(F)(F)F)nc2ccccc12
InChI	InChI=1S/C21H18F3N3O3S/c22-21(23,24)18-12-17(15-5-1-2-6-16(15)27-18)31-11-9-25-20(29)13-26-19(28)8-7-14-4-3-10-30-14/h1-8,10,12H,9,11,13H2,(H,25,29)(H,26,28)
InChIK	FHQLJOGWZLZIIP-UHFFFAOYSA-N
TotalMolweight	449.452
Molweight	449.452
MonoisotopicMass	449.102096
CLogP	2.9812
CLogS	-4.96
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.22
Relative PSA	0.27814
PolarSurfaceArea	109.53
Druglikeness	-6.039
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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