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

Formula:C28H26N3O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-(2-pyrrol-1-ylbenzoyl)-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-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,3,4-trifluorophenyl)prop-2-en-1-one
MolecularFormula	C28H26N3O2F3
Smiles	O=C(/C=C/c(c(F)c1F)ccc1F)N(CC1)CC1(CC1)CCN1C(c(cccc1)c1-n1cccc1)=O
InChI	InChI=1S/C28H26F3N3O2/c29-22-9-7-20(25(30)26(22)31)8-10-24(35)34-18-13-28(19-34)11-16-33(17-12-28)27(36)21-5-1-2-6-23(21)32-14-3-4-15-32/h1-10,14-15H,11-13,16-19H2
InChIK	ZDXDPJHQVOLPLL-UHFFFAOYSA-N
TotalMolweight	493.527
Molweight	493.527
MonoisotopicMass	493.197711
CLogP	4.7519
CLogS	-6.868
H Acceptors	5
TotalSurfaceArea	363.36
Relative PSA	0.11022
PolarSurfaceArea	45.55
Druglikeness	3.66
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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