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

Formula:C12H16N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione is a drug-like molecule.

MolName	1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
MolecularFormula	C12H16N2O5
Smiles	C=CCC(C(N1)=O)=CN([C@@H](C2)O[C@@H](CO)[C@@H]2O)C1=O
InChI	InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2,5,8-10,15-16H,1,3-4,6H2,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIK	XUAFMQXKGPTTJN-IVZWLZJFSA-N
TotalMolweight	268.268
Molweight	268.268
MonoisotopicMass	268.105923
CLogP	-0.5276
CLogS	-1.593
H Acceptors	7
H Donors	3
TotalSurfaceArea	194.49
Relative PSA	0.3974
PolarSurfaceArea	99.1
Druglikeness	1.1816
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Sp3Atoms	9
Amides	2
StereoCon	this enantiomer

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