N-naphthalen-1-yl-2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C28H26N3O2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-naphthalen-1-yl-2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is not a drug-like molecule.

MolName	N-naphthalen-1-yl-2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C28H26N3O2F3
Smiles	O=C(/C=C/c(c(F)c1F)ccc1F)N(CC1)CC1(CC1)CCN1C(Nc1cccc2ccccc12)=O
InChI	InChI=1S/C28H26F3N3O2/c29-22-10-8-20(25(30)26(22)31)9-11-24(35)34-17-14-28(18-34)12-15-33(16-13-28)27(36)32-23-7-3-5-19-4-1-2-6-21(19)23/h1-11H,12-18H2,(H,32,36)
InChIK	VCRPUTXSNCLRJS-UHFFFAOYSA-N
TotalMolweight	493.527
Molweight	493.527
MonoisotopicMass	493.197711
CLogP	5.7553
CLogS	-6.677
H Acceptors	5
H Donors	1
TotalSurfaceArea	360.46
Relative PSA	0.12384
PolarSurfaceArea	52.65
Druglikeness	3.9155
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	2
Amides	3
StereoCon

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1 - N-naphthalen-1-yl-2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decane-8-carboxamide | 2 - N-naphthalen-1-yl-2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

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