[(2S,3R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Formula:C8H13N4O8P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2S,3R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.

MolName	[(2S,3R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
MolecularFormula	C8H13N4O8P
Smiles	NC(c1nn([C@@H]([C@@H]2O)O[C@@H](COP(O)(O)=O)[C@@H]2O)cn1)=O
InChI	InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m0/s1
InChIK	SDWIOXKHTFOULX-RGDLXGNYSA-N
TotalMolweight	324.185
Molweight	324.185
MonoisotopicMass	324.047103
CLogP	-6.1942
CLogS	1.054
H Acceptors	12
H Donors	5
TotalSurfaceArea	205.68
Relative PSA	0.71247
PolarSurfaceArea	200.06
Druglikeness	-17.963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	4
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	12
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon	this enantiomer

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1 - [(2S,3R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | 2 - [(2S,3R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

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