N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C33H26N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C33H26N4O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C33H26N4O4/c38-32(25-11-5-2-6-12-25)35-28(17-24-15-16-30-31(18-24)41-22-40-30)33(39)36-34-19-26-21-37(20-23-9-3-1-4-10-23)29-14-8-7-13-27(26)29/h1-19,21H,20,22H2,(H,35,38)(H,36,39)
InChIK	CEANECYHZNFOMP-UHFFFAOYSA-N
TotalMolweight	542.593
Molweight	542.593
MonoisotopicMass	542.195406
CLogP	6.4594
CLogS	-7.155
H Acceptors	8
H Donors	2
TotalSurfaceArea	418.25
Relative PSA	0.20892
PolarSurfaceArea	93.95
Druglikeness	7.6898
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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