N-(1-adamantyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

Formula:C26H35N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1-adamantyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is a drug-like molecule.

MolName	N-(1-adamantyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
MolecularFormula	C26H35N3O2S
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(NC2(CC(C3)C4)CC4CC3C2)=O)CC1
InChI	InChI=1S/C26H35N3O2S/c30-23(2-1-19-3-10-32-17-19)28-7-4-25(5-8-28)6-9-29(18-25)24(31)27-26-14-20-11-21(15-26)13-22(12-20)16-26/h1-3,10,17,20-22H,4-9,11-16,18H2,(H,27,31)
InChIK	LCWLYWKUPDRUKY-UHFFFAOYSA-N
TotalMolweight	453.649
Molweight	453.649
MonoisotopicMass	453.244997
CLogP	4.4094
CLogS	-4.857
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.96
Relative PSA	0.19522
PolarSurfaceArea	80.89
Druglikeness	5.8517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	7
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	18
Symmetricatoms	8
Amides	3
StereoCon

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