2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid

Formula:C15H13N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C15H13N3O6S
Smiles	NC(CSC(NC(/C1=C\c(cccc2)c2OCC(O)=O)=O)=NC1=O)=O
InChI	InChI=1S/C15H13N3O6S/c16-11(19)7-25-15-17-13(22)9(14(23)18-15)5-8-3-1-2-4-10(8)24-6-12(20)21/h1-5H,6-7H2,(H2,16,19)(H,20,21)(H,17,18,22,23)
InChIK	JTFNAICTRNBQKJ-UHFFFAOYSA-N
TotalMolweight	363.349
Molweight	363.349
MonoisotopicMass	363.052507
CLogP	-1.1525
CLogS	-2.665
H Acceptors	9
H Donors	3
TotalSurfaceArea	259.78
Relative PSA	0.50423
PolarSurfaceArea	173.45
Druglikeness	4.1362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid

Request More Details | 2-[2-[(E)-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dioxo-1H-pyrimidin-5-ylidene]methyl]phenoxy]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments