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

Formula:C22H17N3OS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C22H17N3OS2
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C22H17N3OS2/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/h1-14H,15H2,(H,23,24,26)
InChIK	LDVVHLFPASDPJE-UHFFFAOYSA-N
TotalMolweight	403.529
Molweight	403.529
MonoisotopicMass	403.081302
CLogP	5.6298
CLogS	-7.312
H Acceptors	4
H Donors	1
TotalSurfaceArea	307.8
Relative PSA	0.27385
PolarSurfaceArea	108.42
Druglikeness	1.8172
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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