1-[(3R,5S)-5-(azidomethyl)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione

Formula:C10H13N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(3R,5S)-5-(azidomethyl)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione is a drug-like molecule.

MolName1-[(3R,5S)-5-(azidomethyl)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione
MolecularFormulaC10H13N5O4
Smiles[N-]=[N+]=NC[C@](CO)(C1)OC[C@@H]1N(C=CC(N1)=O)C1=O
InChIInChI=1S/C10H13N5O4/c11-14-12-5-10(6-16)3-7(4-19-10)15-2-1-8(17)13-9(15)18/h1-2,7,16H,3-6H2,(H,13,17,18)/t7-,10+/m1/s1
InChIKYEAYEKFZKCRYOS-XCBNKYQSSA-N
TotalMolweight267.244
Molweight267.244
MonoisotopicMass267.096755
CLogP-1.7378
CLogS-1.109
H Acceptors9
H Donors2
TotalSurfaceArea195.2
Relative PSA0.52039
PolarSurfaceArea104.83
Druglikeness-3.2036
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms9
Electronegative Atoms9
StereoCenters2
Rotatable Bond4
Rings Closures2
Small Rings2
Sp3Atoms8
Amides2
StereoConthis enantiomer

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