(E)-1-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one

Formula:C20H21N6O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one
MolecularFormula	C20H21N6O2F3
Smiles	O=C(Cn1nnnc1)N1CCC(CC2)(CN2C(/C=C/c(c(F)c2F)ccc2F)=O)CC1
InChI	InChI=1S/C20H21F3N6O2/c21-15-3-1-14(18(22)19(15)23)2-4-16(30)28-10-7-20(12-28)5-8-27(9-6-20)17(31)11-29-13-24-25-26-29/h1-4,13H,5-12H2
InChIK	QJUGFPSNEPOFPO-UHFFFAOYSA-N
TotalMolweight	434.421
Molweight	434.421
MonoisotopicMass	434.167808
CLogP	1.8537
CLogS	-3.353
H Acceptors	8
TotalSurfaceArea	313.64
Relative PSA	0.23262
PolarSurfaceArea	84.22
Druglikeness	2.874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	4
StereoCon

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1 - (E)-1-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one | 2 - (E)-1-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one

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