N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C26H20N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C26H20N3O3Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1)NCc1ccncc1
InChI	InChI=1S/C26H20BrN3O3/c27-21-8-6-19(7-9-21)24-11-10-22(33-24)16-23(30-25(31)20-4-2-1-3-5-20)26(32)29-17-18-12-14-28-15-13-18/h1-16H,17H2,(H,29,32)(H,30,31)
InChIK	FUPDPKCKMPDANU-UHFFFAOYSA-N
TotalMolweight	502.367
Molweight	502.367
MonoisotopicMass	501.068803
CLogP	4.7964
CLogS	-6.188
H Acceptors	6
H Donors	2
TotalSurfaceArea	356.51
Relative PSA	0.20779
PolarSurfaceArea	84.23
Druglikeness	2.5357
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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