(E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Formula:C26H16N3O2Cl2F5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C26H16N3O2Cl2F5S
Smiles	O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1
InChI	InChI=1S/C26H16Cl2F5N3O2S/c27-15-3-1-13(9-16(15)28)17-10-19(38-35-17)18-11-39-26(34-18)12-5-7-36(8-6-12)20(37)4-2-14-21(29)23(31)25(33)24(32)22(14)30/h1-4,9-12H,5-8H2
InChIK	NTHZPDLJNSABEP-UHFFFAOYSA-N
TotalMolweight	600.394
Molweight	600.394
MonoisotopicMass	599.026041
CLogP	7.1193
CLogS	-8.235
H Acceptors	5
TotalSurfaceArea	406.87
Relative PSA	0.17942
PolarSurfaceArea	87.47
Druglikeness	4.1157
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one | 2 - (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

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