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

Formula:C22H15N3OCl2S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C22H15N3OCl2S2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C22H15Cl2N3OS2/c23-17-10-8-15(19(24)12-17)9-11-20(28)25-21-26-27-22(30-21)29-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-12H,13H2,(H,25,26,28)
InChIK	HJVBCWFSWNWMKL-UHFFFAOYSA-N
TotalMolweight	472.419
Molweight	472.419
MonoisotopicMass	471.003356
CLogP	6.8418
CLogS	-8.784
H Acceptors	4
H Donors	1
TotalSurfaceArea	338.64
Relative PSA	0.24891
PolarSurfaceArea	108.42
Druglikeness	1.8725
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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