(1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione

Formula:C17H19NO6 Mutagenic:high Tumorigenic:none Reproductive Effective:high (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione is a drug-like molecule.

MolName	(1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione
MolecularFormula	C17H19NO6
Smiles	O[C@H]([C@@H]1O[C@@H]1C1=O)[C@H]([C@@H]2C(N3C[C@H]4OCCC4)=O)C1=CC[C@H]2C3=O
InChI	InChI=1S/C17H19NO6/c19-12-8-3-4-9-11(10(8)13(20)15-14(12)24-15)17(22)18(16(9)21)6-7-2-1-5-23-7/h3,7,9-11,13-15,20H,1-2,4-6H2/t7-,9-,10-,11-,13+,14+,15-/m0/s1
InChIK	LLIHEGOBMOWRBR-AHAHIZGVSA-N
TotalMolweight	333.339
Molweight	333.339
MonoisotopicMass	333.121239
CLogP	-1.1332
CLogS	-1.706
H Acceptors	7
H Donors	1
TotalSurfaceArea	224.56
Relative PSA	0.37148
PolarSurfaceArea	96.44
Druglikeness	3.4738
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	oxiran/aziridine
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	7
Rotatable Bond	2
Rings Closures	5
Small Rings	6
Sp3Atoms	15
Amides	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione | 2 - (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione

Request More Details | (1R,2S,6R,11S,13S,14S)-14-hydroxy-4-[[(2S)-oxolan-2-yl]methyl]-12-oxa-4-azatetracyclo[7.5.0.02,6.011,13]tetradec-8-ene-3,5,10-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments