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

Formula:C20H15N3O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(furan-2-yl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C20H15N3O2S2
Smiles	O=C(/C=C/c1ccco1)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C20H15N3O2S2/c24-18(11-10-16-8-4-12-25-16)21-19-22-23-20(27-19)26-13-15-7-3-6-14-5-1-2-9-17(14)15/h1-12H,13H2,(H,21,22,24)
InChIK	VCYKFNAXEKWKJY-UHFFFAOYSA-N
TotalMolweight	393.49
Molweight	393.49
MonoisotopicMass	393.060567
CLogP	4.8185
CLogS	-6.994
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.49
Relative PSA	0.33077
PolarSurfaceArea	121.56
Druglikeness	1.8752
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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