(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

Formula:C33H21N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
MolecularFormula	C33H21N3O4
Smiles	N#C/C(/C(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1
InChI	InChI=1S/C33H21N3O4/c34-17-21(14-22-18-35-30-13-11-24(16-28(22)30)40-19-20-6-2-1-3-7-20)33(39)36-23-10-12-27-29(15-23)32(38)26-9-5-4-8-25(26)31(27)37/h1-16,18,35H,19H2,(H,36,39)
InChIK	BSZJVBBEOBSAFW-UHFFFAOYSA-N
TotalMolweight	523.547
Molweight	523.547
MonoisotopicMass	523.153207
CLogP	5.7496
CLogS	-8.75
H Acceptors	7
H Donors	2
TotalSurfaceArea	398.1
Relative PSA	0.22138
PolarSurfaceArea	112.05
Druglikeness	-1.8255
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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