3-[5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-yl]benzoate

Formula:C29H20N3O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-yl]benzoate is not a drug-like molecule.

MolName	3-[5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-yl]benzoate
MolecularFormula	C29H20N3O7
Smiles	[O-]C(c1cc(-c2ccc(/C=N\NC(/C(/NC(c3ccccc3)=O)=C\c(cc3)cc4c3OCO4)=O)o2)ccc1)=O
InChI	InChI=1S/C29H21N3O7/c33-27(19-5-2-1-3-6-19)31-23(13-18-9-11-25-26(14-18)38-17-37-25)28(34)32-30-16-22-10-12-24(39-22)20-7-4-8-21(15-20)29(35)36/h1-16H,17H2,(H,31,33)(H,32,34)(H,35,36)/p-1
InChIK	GNLVWCHSUZQPMJ-UHFFFAOYSA-M
TotalMolweight	522.492
Molweight	522.492
MonoisotopicMass	522.130127
CLogP	3.2777
CLogS	-7.65
H Acceptors	10
H Donors	2
TotalSurfaceArea	395.66
Relative PSA	0.30819
PolarSurfaceArea	142.29
Druglikeness	8.051
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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