2-[2-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C24H19N4O4S3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[2-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is not a drug-like molecule.

MolName	2-[2-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C24H19N4O4S3
Smiles	[O-]C(COc1c(/C=N\NC(CSc2nnc(SCc3cccc4ccccc34)s2)=O)cccc1)=O
InChI	InChI=1S/C24H20N4O4S3/c29-21(26-25-12-17-7-2-4-11-20(17)32-13-22(30)31)15-34-24-28-27-23(35-24)33-14-18-9-5-8-16-6-1-3-10-19(16)18/h1-12H,13-15H2,(H,26,29)(H,30,31)/p-1
InChIK	TUISUHYARYBUMY-UHFFFAOYSA-M
TotalMolweight	523.637
Molweight	523.637
MonoisotopicMass	523.056841
CLogP	2.5914
CLogS	-7.739
H Acceptors	8
H Donors	1
TotalSurfaceArea	386.35
Relative PSA	0.38983
PolarSurfaceArea	195.44
Druglikeness	5.0187
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate

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