2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl (E)-3-phenylprop-2-enoate

Formula:C27H24N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl (E)-3-phenylprop-2-enoate
MolecularFormula	C27H24N2O5
Smiles	O=C(/C=C/c1ccccc1)OCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O
InChI	InChI=1S/C27H24N2O5/c30-24(12-9-19-5-2-1-3-6-19)34-18-15-29-26(31)21-8-4-7-20-23(28-13-16-33-17-14-28)11-10-22(25(20)21)27(29)32/h1-12H,13-18H2
InChIK	CYIFUQGCROBOGW-UHFFFAOYSA-N
TotalMolweight	456.497
Molweight	456.497
MonoisotopicMass	456.168523
CLogP	3.5942
CLogS	-5.077
H Acceptors	7
TotalSurfaceArea	343.53
Relative PSA	0.19276
PolarSurfaceArea	76.15
Druglikeness	0.73923
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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