(E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide

Formula:C26H19N4O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C26H19N4O2Br
Smiles	N#C/C(/C(Nc(cc1)ccc1Br)=O)=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2
InChI	InChI=1S/C26H19BrN4O2/c27-20-10-12-22(13-11-20)30-26(33)18(15-28)14-19-16-31(24-9-5-4-8-23(19)24)17-25(32)29-21-6-2-1-3-7-21/h1-14,16H,17H2,(H,29,32)(H,30,33)
InChIK	LVBPLKFTSNMNLN-UHFFFAOYSA-N
TotalMolweight	499.367
Molweight	499.367
MonoisotopicMass	498.069137
CLogP	4.5278
CLogS	-5.771
H Acceptors	6
H Donors	2
TotalSurfaceArea	353.81
Relative PSA	0.19624
PolarSurfaceArea	86.92
Druglikeness	-1.5902
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide | 2 - (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide

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