N-[(Z)-3-oxo-3-(pyridin-3-ylmethylamino)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide

Formula:C27H20N3O3F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-3-oxo-3-(pyridin-3-ylmethylamino)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-oxo-3-(pyridin-3-ylmethylamino)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
MolecularFormula	C27H20N3O3F3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NCc1cnccc1
InChI	InChI=1S/C27H20F3N3O3/c28-27(29,30)21-10-4-9-20(14-21)24-12-11-22(36-24)15-23(33-25(34)19-7-2-1-3-8-19)26(35)32-17-18-6-5-13-31-16-18/h1-16H,17H2,(H,32,35)(H,33,34)
InChIK	GQKWBNDYWJXUIP-UHFFFAOYSA-N
TotalMolweight	491.468
Molweight	491.468
MonoisotopicMass	491.145676
CLogP	4.9195
CLogS	-6.132
H Acceptors	6
H Donors	2
TotalSurfaceArea	367.34
Relative PSA	0.20167
PolarSurfaceArea	84.23
Druglikeness	-2.8643
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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