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

Formula:C26H23N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-(3-phenylprop-2-ynoyl)-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-(3-phenylprop-2-ynoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one
MolecularFormula	C26H23N2O2F3
Smiles	O=C(/C=C/c(c(F)c1F)ccc1F)N(CC1)CC1(CC1)CCN1C(C#Cc1ccccc1)=O
InChI	InChI=1S/C26H23F3N2O2/c27-21-9-7-20(24(28)25(21)29)8-11-23(33)31-17-14-26(18-31)12-15-30(16-13-26)22(32)10-6-19-4-2-1-3-5-19/h1-5,7-9,11H,12-18H2
InChIK	XFNBKWYSPUDWSL-UHFFFAOYSA-N
TotalMolweight	452.475
Molweight	452.475
MonoisotopicMass	452.171162
CLogP	4.8269
CLogS	-5.312
H Acceptors	4
TotalSurfaceArea	344.2
Relative PSA	0.096397
PolarSurfaceArea	40.62
Druglikeness	-3.571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	2
StereoCon

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

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