N-(1,3-dioxoisoindol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide

Formula:C22H15N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(1,3-dioxoisoindol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide is a drug-like molecule.

MolName	N-(1,3-dioxoisoindol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide
MolecularFormula	C22H15N3O5
Smiles	O=C(/C=C/c1ccco1)Nc1cccc(C(NN(C(c2c3cccc2)=O)C3=O)=O)c1
InChI	InChI=1S/C22H15N3O5/c26-19(11-10-16-7-4-12-30-16)23-15-6-3-5-14(13-15)20(27)24-25-21(28)17-8-1-2-9-18(17)22(25)29/h1-13H,(H,23,26)(H,24,27)
InChIK	BJYIAULTTXDHDU-UHFFFAOYSA-N
TotalMolweight	401.377
Molweight	401.377
MonoisotopicMass	401.101172
CLogP	1.7331
CLogS	-4.735
H Acceptors	8
H Donors	2
TotalSurfaceArea	299.69
Relative PSA	0.30945
PolarSurfaceArea	108.72
Druglikeness	1.8864
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	5
Amides	1
StereoCon

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