(E)-N-(4-bromophenyl)-2-cyano-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enamide

Formula:C24H21N4O3Br Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-(4-bromophenyl)-2-cyano-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(4-bromophenyl)-2-cyano-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enamide
MolecularFormula	C24H21N4O3Br
Smiles	N#C/C(/C(Nc(cc1)ccc1Br)=O)=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2
InChI	InChI=1S/C24H21BrN4O3/c25-19-5-7-20(8-6-19)27-24(31)17(14-26)13-18-15-29(22-4-2-1-3-21(18)22)16-23(30)28-9-11-32-12-10-28/h1-8,13,15H,9-12,16H2,(H,27,31)
InChIK	HSKWVUOFXRFEKB-UHFFFAOYSA-N
TotalMolweight	493.36
Molweight	493.36
MonoisotopicMass	492.079702
CLogP	3.0546
CLogS	-3.969
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.43
Relative PSA	0.20765
PolarSurfaceArea	87.36
Druglikeness	-1.4166
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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