[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

Formula:C33H22N4O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C33H22N4O5
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)=O)Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C33H22N4O5/c38-29(35-23-13-14-27-28(17-23)33(41)26-11-5-4-10-25(26)32(27)40)20-42-30(39)15-12-22-19-37(24-8-2-1-3-9-24)36-31(22)21-7-6-16-34-18-21/h1-19H,20H2,(H,35,38)
InChIK	JZNCAXAXMOYQCD-UHFFFAOYSA-N
TotalMolweight	554.561
Molweight	554.561
MonoisotopicMass	554.159021
CLogP	3.9861
CLogS	-7.233
H Acceptors	9
H Donors	1
TotalSurfaceArea	418.24
Relative PSA	0.24491
PolarSurfaceArea	120.25
Druglikeness	2.639
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate | 2 - [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

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