4-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-hydroxychromen-2-one

Formula:C20H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-hydroxychromen-2-one
MolecularFormula	C20H23NO5
Smiles	O[C@](CCCC1)(CC2)[C@H]1CN2C(CC(c(ccc(O)c1)c1O1)=CC1=O)=O
InChI	InChI=1S/C20H23NO5/c22-15-4-5-16-13(10-19(24)26-17(16)11-15)9-18(23)21-8-7-20(25)6-2-1-3-14(20)12-21/h4-5,10-11,14,22,25H,1-3,6-9,12H2/t14-,20-/m1/s1
InChIK	NDCKGNPLTQBZIY-JLTOFOAXSA-N
TotalMolweight	357.405
Molweight	357.405
MonoisotopicMass	357.157624
CLogP	1.8672
CLogS	-2.63
H Acceptors	6
H Donors	2
TotalSurfaceArea	258.96
Relative PSA	0.25421
PolarSurfaceArea	87.07
Druglikeness	-2.0455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Amides	1
StereoCon	this enantiomer

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1 - 4-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-hydroxychromen-2-one | 2 - 4-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-hydroxychromen-2-one

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