[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] (4-nitrophenyl) hydrogen phosphate

Formula:C15H18N3O11P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] (4-nitrophenyl) hydrogen phosphate is not a drug-like molecule.

MolName	[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] (4-nitrophenyl) hydrogen phosphate
MolecularFormula	C15H18N3O11P
Smiles	[O-][N+](c(cc1)ccc1OP(O)(OC[C@@H](CO)O[C@H](CO)N(C=CC(N1)=O)C1=O)=O)=O
InChI	InChI=1S/C15H18N3O11P/c19-7-12(28-14(8-20)17-6-5-13(21)16-15(17)22)9-27-30(25,26)29-11-3-1-10(2-4-11)18(23)24/h1-6,12,14,19-20H,7-9H2,(H,25,26)(H,16,21,22)/t12-,14-/m1/s1
InChIK	LICYHOVEUUQSGI-TZMCWYRMSA-N
TotalMolweight	447.292
Molweight	447.292
MonoisotopicMass	447.067899
CLogP	-3.7335
CLogS	-1.337
H Acceptors	14
H Donors	4
TotalSurfaceArea	306.29
Relative PSA	0.5153
PolarSurfaceArea	210.49
Druglikeness	-36.49
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	15
Electronegative Atoms	15
StereoCenters	3
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon	unknown chirality

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1 - [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] (4-nitrophenyl) hydrogen phosphate | 2 - [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropyl] (4-nitrophenyl) hydrogen phosphate

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