N-[(E)-3-(cyclohexylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide

Formula:C27H25N2O3F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(cyclohexylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(cyclohexylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
MolecularFormula	C27H25N2O3F3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC1CCCCC1
InChI	InChI=1S/C27H25F3N2O3/c28-27(29,30)20-11-7-10-19(16-20)24-15-14-22(35-24)17-23(26(34)31-21-12-5-2-6-13-21)32-25(33)18-8-3-1-4-9-18/h1,3-4,7-11,14-17,21H,2,5-6,12-13H2,(H,31,34)(H,32,33)
InChIK	SMFPPWWHMQLJEW-UHFFFAOYSA-N
TotalMolweight	482.501
Molweight	482.501
MonoisotopicMass	482.181727
CLogP	6.058
CLogS	-7.178
H Acceptors	5
H Donors	2
TotalSurfaceArea	362.86
Relative PSA	0.17392
PolarSurfaceArea	71.34
Druglikeness	-7.696
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Amides	2
StereoCon

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