(2R)-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

Formula:C25H31N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is not a drug-like molecule.

MolName	(2R)-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
MolecularFormula	C25H31N3O6S
Smiles	Cc1c(C(C([C@@H](c(cc2)cc(OC)c2OC)N(CCCN2CCOCC2)C2=O)=C2O)=O)sc(C)n1
InChI	InChI=1S/C25H31N3O6S/c1-15-24(35-16(2)26-15)22(29)20-21(17-6-7-18(32-3)19(14-17)33-4)28(25(31)23(20)30)9-5-8-27-10-12-34-13-11-27/h6-7,14,21,30H,5,8-13H2,1-4H3/t21-/m1/s1
InChIK	BPGOCBFJKQUJRC-OAQYLSRUSA-N
TotalMolweight	501.602
Molweight	501.602
MonoisotopicMass	501.193357
CLogP	1.4613
CLogS	-2.36
H Acceptors	9
H Donors	1
TotalSurfaceArea	373.95
Relative PSA	0.28777
PolarSurfaceArea	129.67
Druglikeness	6.1677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	17
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (2R)-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one | 2 - (2R)-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

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