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

Formula:C20H15N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C20H15N4O2Cl
Smiles	NC(Cn1c(cccc2)c2c(/C=C(/C(Nc(cc2)ccc2Cl)=O)\C#N)c1)=O
InChI	InChI=1S/C20H15ClN4O2/c21-15-5-7-16(8-6-15)24-20(27)13(10-22)9-14-11-25(12-19(23)26)18-4-2-1-3-17(14)18/h1-9,11H,12H2,(H2,23,26)(H,24,27)
InChIK	KRNGWOUYIHIPFM-UHFFFAOYSA-N
TotalMolweight	378.818
Molweight	378.818
MonoisotopicMass	378.088353
CLogP	2.3484
CLogS	-4.25
H Acceptors	6
H Donors	2
TotalSurfaceArea	287.9
Relative PSA	0.25439
PolarSurfaceArea	100.91
Druglikeness	1.0716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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