(E)-3-cyclohex-3-en-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Formula:C22H21N3OS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-cyclohex-3-en-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-cyclohex-3-en-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C22H21N3OS2
Smiles	O=C(/C=C/C1CC=CCC1)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C22H21N3OS2/c26-20(14-13-16-7-2-1-3-8-16)23-21-24-25-22(28-21)27-15-18-11-6-10-17-9-4-5-12-19(17)18/h1-2,4-6,9-14,16H,3,7-8,15H2,(H,23,24,26)/t16-/m1/s1
InChIK	LQZFUJRRZREMCE-MRXNPFEDSA-N
TotalMolweight	407.561
Molweight	407.561
MonoisotopicMass	407.112602
CLogP	5.5821
CLogS	-7.182
H Acceptors	4
H Donors	1
TotalSurfaceArea	314.82
Relative PSA	0.26774
PolarSurfaceArea	108.42
Druglikeness	-3.1229
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-3-cyclohex-3-en-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide | 2 - (E)-3-cyclohex-3-en-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

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