4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Formula:C9H13N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is a drug-like molecule.

MolName	4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
MolecularFormula	C9H13N3O5
Smiles	NC(C=CN1C([C@@H]2O)O[C@H](CO)[C@H]2O)=NC1=O
InChI	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8?/m0/s1
InChIK	UHDGCWIWMRVCDJ-VDOFNTLDSA-N
TotalMolweight	243.218
Molweight	243.218
MonoisotopicMass	243.085522
CLogP	-3.0346
CLogS	-0.731
H Acceptors	8
H Donors	4
TotalSurfaceArea	165.35
Relative PSA	0.56045
PolarSurfaceArea	128.61
Druglikeness	-4.6735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	9
Amides	1
BasicNitrogens	1
StereoCon	unknown chirality

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