4-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C24H24N3O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is not a drug-like molecule.

MolName	4-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C24H24N3O2F3S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(Nc2cc(C(F)(F)F)ccc2)=O)SCC1
InChI	InChI=1S/C24H24F3N3O2S/c25-24(26,27)19-7-4-8-20(17-19)28-22(32)29-13-11-23(12-14-29)30(15-16-33-23)21(31)10-9-18-5-2-1-3-6-18/h1-10,17H,11-16H2,(H,28,32)
InChIK	SWVDHQAJIZJLIR-UHFFFAOYSA-N
TotalMolweight	475.534
Molweight	475.534
MonoisotopicMass	475.154131
CLogP	5.4659
CLogS	-5.867
H Acceptors	5
H Donors	1
TotalSurfaceArea	340
Relative PSA	0.18274
PolarSurfaceArea	77.95
Druglikeness	-3.119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	3
StereoCon

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