1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione

Formula:C28H33N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione is a drug-like molecule.

MolName	1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione
MolecularFormula	C28H33N3O3S
Smiles	O=C(CCC(N(CCC1)c2c1cccc2)=O)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O
InChI	InChI=1S/C28H33N3O3S/c32-25(8-7-22-11-19-35-20-22)29-16-12-28(13-17-29)14-18-30(21-28)26(33)9-10-27(34)31-15-3-5-23-4-1-2-6-24(23)31/h1-2,4,6-8,11,19-20H,3,5,9-10,12-18,21H2
InChIK	VPKKMUCUOHBIJC-UHFFFAOYSA-N
TotalMolweight	491.654
Molweight	491.654
MonoisotopicMass	491.224262
CLogP	4.6289
CLogS	-4.452
H Acceptors	6
TotalSurfaceArea	374.64
Relative PSA	0.18719
PolarSurfaceArea	89.17
Druglikeness	4.1115
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	2
Amides	3
StereoCon

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1 - 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione | 2 - 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione

Request More Details | 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione

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