(1,3-dioxoisoindol-2-yl)methyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate

Formula:C25H18N2O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none (1,3-dioxoisoindol-2-yl)methyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate is a drug-like molecule.

MolName	(1,3-dioxoisoindol-2-yl)methyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
MolecularFormula	C25H18N2O6
Smiles	O=C(/C=C/c1ccccc1)N/C(/C(OCN(C(c1c2cccc1)=O)C2=O)=O)=C\c1ccco1
InChI	InChI=1S/C25H18N2O6/c28-22(13-12-17-7-2-1-3-8-17)26-21(15-18-9-6-14-32-18)25(31)33-16-27-23(29)19-10-4-5-11-20(19)24(27)30/h1-15H,16H2,(H,26,28)
InChIK	BIWDIDLBBIKJFB-UHFFFAOYSA-N
TotalMolweight	442.426
Molweight	442.426
MonoisotopicMass	442.116488
CLogP	3.5556
CLogS	-5.324
H Acceptors	8
H Donors	1
TotalSurfaceArea	336.7
Relative PSA	0.2711
PolarSurfaceArea	105.92
Druglikeness	1.9419
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	7
Amides	2
StereoCon

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1 - (1,3-dioxoisoindol-2-yl)methyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate | 2 - (1,3-dioxoisoindol-2-yl)methyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate

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