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

Formula:C18H18N3OFS2 Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-3-cyclohex-3-en-1-yl-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-cyclohex-3-en-1-yl-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H18N3OFS2
Smiles	O=C(/C=C/C1CC=CCC1)Nc1nnc(SCc(cccc2)c2F)s1
InChI	InChI=1S/C18H18FN3OS2/c19-15-9-5-4-8-14(15)12-24-18-22-21-17(25-18)20-16(23)11-10-13-6-2-1-3-7-13/h1-2,4-5,8-11,13H,3,6-7,12H2,(H,20,21,23)/t13-/m1/s1
InChIK	BOAPFDXDUGOERT-CYBMUJFWSA-N
TotalMolweight	375.491
Molweight	375.491
MonoisotopicMass	375.08753
CLogP	4.4885
CLogS	-5.89
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.57
Relative PSA	0.29413
PolarSurfaceArea	108.42
Druglikeness	-4.4629
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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