(E)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one

Formula:C21H18N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C21H18N3O2F
Smiles	O=C(/C=C/c1ccccc1)N(CCC1)C1c1nc(-c(cc2)ccc2F)no1
InChI	InChI=1S/C21H18FN3O2/c22-17-11-9-16(10-12-17)20-23-21(27-24-20)18-7-4-14-25(18)19(26)13-8-15-5-2-1-3-6-15/h1-3,5-6,8-13,18H,4,7,14H2/t18-/m0/s1
InChIK	ZRVRTMHSIMEXKX-SFHVURJKSA-N
TotalMolweight	363.391
Molweight	363.391
MonoisotopicMass	363.138305
CLogP	3.9212
CLogS	-4.626
H Acceptors	5
TotalSurfaceArea	281.17
Relative PSA	0.18722
PolarSurfaceArea	59.23
Druglikeness	2.4963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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