(E)-4-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylanilino]but-2-enoic acid

Formula:C15H10N3O3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylanilino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylanilino]but-2-enoic acid
MolecularFormula	C15H10N3O3F3S
Smiles	OC(/C=C/C(Nc(cccc1)c1Sc1nc(C(F)(F)F)ccn1)=O)=O
InChI	InChI=1S/C15H10F3N3O3S/c16-15(17,18)11-7-8-19-14(21-11)25-10-4-2-1-3-9(10)20-12(22)5-6-13(23)24/h1-8H,(H,20,22)(H,23,24)
InChIK	DVBWUJRSKGUGSE-UHFFFAOYSA-N
TotalMolweight	369.322
Molweight	369.322
MonoisotopicMass	369.039496
CLogP	2.1459
CLogS	-3.098
H Acceptors	6
H Donors	2
TotalSurfaceArea	257.3
Relative PSA	0.35006
PolarSurfaceArea	117.48
Druglikeness	-5.7082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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