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

Formula:C21H18N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-benzyl-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-benzyl-2-cyanoprop-2-enamide
MolecularFormula	C21H18N4O2
Smiles	NC(Cn1c(cccc2)c2c(/C=C(/C(NCc2ccccc2)=O)\C#N)c1)=O
InChI	InChI=1S/C21H18N4O2/c22-11-16(21(27)24-12-15-6-2-1-3-7-15)10-17-13-25(14-20(23)26)19-9-5-4-8-18(17)19/h1-10,13H,12,14H2,(H2,23,26)(H,24,27)
InChIK	CMYLRCVRLJBFJM-UHFFFAOYSA-N
TotalMolweight	358.4
Molweight	358.4
MonoisotopicMass	358.142976
CLogP	1.4518
CLogS	-3.33
H Acceptors	6
H Donors	2
TotalSurfaceArea	286.24
Relative PSA	0.25587
PolarSurfaceArea	100.91
Druglikeness	1.1403
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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