3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

Formula:C23H19N3OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is not a drug-like molecule.

MolName	3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
MolecularFormula	C23H19N3OF6
Smiles	FC(c1cc(C(F)(F)F)cc(/C=C\c2noc(-c3cc(CN4CCCC4)ccc3)n2)c1)(F)F
InChI	InChI=1S/C23H19F6N3O/c24-22(25,26)18-11-15(12-19(13-18)23(27,28)29)6-7-20-30-21(33-31-20)17-5-3-4-16(10-17)14-32-8-1-2-9-32/h3-7,10-13H,1-2,8-9,14H2
InChIK	MWEKFJJUOYBHQB-UHFFFAOYSA-N
TotalMolweight	467.412
Molweight	467.412
MonoisotopicMass	467.14323
CLogP	5.7962
CLogS	-6.411
H Acceptors	4
TotalSurfaceArea	331.01
Relative PSA	0.11963
PolarSurfaceArea	42.16
Druglikeness	-3.4754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	10
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole | 2 - 3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

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