2-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Formula:C28H25N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is a drug-like molecule.

MolName	2-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
MolecularFormula	C28H25N3O5
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)N1CCN(CCN(C(c2c3c4cccc3ccc2)=O)C4=O)CC1
InChI	InChI=1S/C28H25N3O5/c32-25(10-8-19-7-9-23-24(17-19)36-18-35-23)30-14-11-29(12-15-30)13-16-31-27(33)21-5-1-3-20-4-2-6-22(26(20)21)28(31)34/h1-10,17H,11-16,18H2
InChIK	YAJFIOCLDZNLKA-UHFFFAOYSA-N
TotalMolweight	483.523
Molweight	483.523
MonoisotopicMass	483.179422
CLogP	3.9073
CLogS	-4.756
H Acceptors	8
TotalSurfaceArea	354.09
Relative PSA	0.19704
PolarSurfaceArea	79.39
Druglikeness	6.1657
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	8
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 2-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione | 2 - 2-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

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