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

Formula:C18H13N3OClFS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H13N3OClFS2
Smiles	O=C(/C=C/c(cccc1)c1Cl)Nc1nnc(SCc(cc2)ccc2F)s1
InChI	InChI=1S/C18H13ClFN3OS2/c19-15-4-2-1-3-13(15)7-10-16(24)21-17-22-23-18(26-17)25-11-12-5-8-14(20)9-6-12/h1-10H,11H2,(H,21,22,24)
InChIK	NUHZTXUGNUOPMW-UHFFFAOYSA-N
TotalMolweight	405.904
Molweight	405.904
MonoisotopicMass	405.017257
CLogP	5.1422
CLogS	-6.756
H Acceptors	4
H Donors	1
TotalSurfaceArea	294.97
Relative PSA	0.28576
PolarSurfaceArea	108.42
Druglikeness	0.5325
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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