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

Formula:C18H12N3OCl2FS2 Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H12N3OCl2FS2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1nnc(SCc(cccc2)c2F)s1
InChI	InChI=1S/C18H12Cl2FN3OS2/c19-13-7-5-11(14(20)9-13)6-8-16(25)22-17-23-24-18(27-17)26-10-12-3-1-2-4-15(12)21/h1-9H,10H2,(H,22,23,25)
InChIK	SGRZEVNGTYCXGW-UHFFFAOYSA-N
TotalMolweight	440.349
Molweight	440.349
MonoisotopicMass	438.978284
CLogP	5.7482
CLogS	-7.492
H Acceptors	4
H Donors	1
TotalSurfaceArea	310.39
Relative PSA	0.27156
PolarSurfaceArea	108.42
Druglikeness	0.5325
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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