4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

Formula:C9H11N3O4FI Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one is a drug-like molecule.

MolName	4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
MolecularFormula	C9H11N3O4FI
Smiles	NC(C(I)=CN1[C@@H]([C@@H]2F)O[C@@H](CO)[C@@H]2O)=NC1=O
InChI	InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5-,6-,8-/m1/s1
InChIK	GIMSJJHKKXRFGV-UAKXSSHOSA-N
TotalMolweight	371.101
Molweight	371.101
MonoisotopicMass	370.977833
CLogP	-1.5308
CLogS	-1.727
H Acceptors	7
H Donors	3
TotalSurfaceArea	189.84
Relative PSA	0.41914
PolarSurfaceArea	108.38
Druglikeness	1.2024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	8
Amides	1
BasicNitrogens	1
StereoCon	this enantiomer

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1 - 4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one | 2 - 4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

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