(E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid

Formula:C16H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid
MolecularFormula	C16H16N4O3S
Smiles	OC(/C=C/C(N(CC1)CCN1c1nc(-c2ccccc2)ns1)=O)=O
InChI	InChI=1S/C16H16N4O3S/c21-13(6-7-14(22)23)19-8-10-20(11-9-19)16-17-15(18-24-16)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,22,23)
InChIK	ILJDFJZRQUYKAZ-UHFFFAOYSA-N
TotalMolweight	344.394
Molweight	344.394
MonoisotopicMass	344.094311
CLogP	2.0732
CLogS	-2.094
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.97
Relative PSA	0.34471
PolarSurfaceArea	114.87
Druglikeness	6.6779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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