5-ethenyl-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Formula:C11H14N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-ethenyl-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-ethenyl-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
MolecularFormula	C11H14N2O5
Smiles	C=CC(C(N1)=O)=CN([C@@H](C2)O[C@@H](CO)[C@@H]2O)C1=O
InChI	InChI=1S/C11H14N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h2,4,7-9,14-15H,1,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIK	YAAQOXBNCODRSI-DJLDLDEBSA-N
TotalMolweight	254.241
Molweight	254.241
MonoisotopicMass	254.090273
CLogP	-0.982
CLogS	-1.323
H Acceptors	7
H Donors	3
TotalSurfaceArea	180.73
Relative PSA	0.42765
PolarSurfaceArea	99.1
Druglikeness	1.0253
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Sp3Atoms	8
Amides	2
StereoCon	this enantiomer

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1 - 5-ethenyl-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | 2 - 5-ethenyl-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

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