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

Formula:C26H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C26H20N4O3
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2
InChI	InChI=1S/C26H20N4O3/c27-15-18(26(33)29-21-10-12-22(31)13-11-21)14-19-16-30(24-9-5-4-8-23(19)24)17-25(32)28-20-6-2-1-3-7-20/h1-14,16,31H,17H2,(H,28,32)(H,29,33)
InChIK	DIOVXMDIEAOUDF-UHFFFAOYSA-N
TotalMolweight	436.47
Molweight	436.47
MonoisotopicMass	436.153541
CLogP	3.4569
CLogS	-4.641
H Acceptors	7
H Donors	3
TotalSurfaceArea	341.53
Relative PSA	0.24165
PolarSurfaceArea	107.15
Druglikeness	0.20193
Mutagenic	none
Tumorigenic	none
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	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide | 2 - (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

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