(E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-naphthalen-2-ylprop-2-enamide

Formula:C29H22N4O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-naphthalen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-naphthalen-2-ylprop-2-enamide
MolecularFormula	C29H22N4O3
Smiles	N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c1cn(CC(NCc2ccco2)=O)c2c1cccc2
InChI	InChI=1S/C29H22N4O3/c30-16-22(29(35)32-24-12-11-20-6-1-2-7-21(20)15-24)14-23-18-33(27-10-4-3-9-26(23)27)19-28(34)31-17-25-8-5-13-36-25/h1-15,18H,17,19H2,(H,31,34)(H,32,35)
InChIK	WUTHGDPTQANZCV-UHFFFAOYSA-N
TotalMolweight	474.519
Molweight	474.519
MonoisotopicMass	474.169191
CLogP	3.8951
CLogS	-6.041
H Acceptors	7
H Donors	2
TotalSurfaceArea	373.23
Relative PSA	0.22383
PolarSurfaceArea	100.06
Druglikeness	0.061561
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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