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

Formula:C26H18N2O4ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
MolecularFormula	C26H18N2O4ClF3
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1)NCc1ccco1
InChI	InChI=1S/C26H18ClF3N2O4/c27-19-8-6-16(7-9-19)24(33)32-22(25(34)31-15-21-5-2-12-35-21)14-20-10-11-23(36-20)17-3-1-4-18(13-17)26(28,29)30/h1-14H,15H2,(H,31,34)(H,32,33)
InChIK	MLHUTGJMVVRKKO-UHFFFAOYSA-N
TotalMolweight	514.886
Molweight	514.886
MonoisotopicMass	514.090719
CLogP	5.7151
CLogS	-7.345
H Acceptors	6
H Donors	2
TotalSurfaceArea	373.69
Relative PSA	0.20664
PolarSurfaceArea	84.48
Druglikeness	-3.1228
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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