2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-N'-hydroxyethanimidamide

Formula:C13H21N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-N'-hydroxyethanimidamide is not a drug-like molecule.

MolName2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-N'-hydroxyethanimidamide
MolecularFormulaC13H21N7O4
SmilesN/C(/COc1nc(N2CCOCC2)nc(N2CCOCC2)n1)=N/O
InChIInChI=1S/C13H21N7O4/c14-10(18-21)9-24-13-16-11(19-1-5-22-6-2-19)15-12(17-13)20-3-7-23-8-4-20/h21H,1-9H2,(H2,14,18)
InChIKMYNKILIADWZBKQ-UHFFFAOYSA-N
TotalMolweight339.355
Molweight339.355
MonoisotopicMass339.165503
CLogP-0.2972
CLogS-2.252
H Acceptors11
H Donors2
TotalSurfaceArea254.82
Relative PSA0.43125
PolarSurfaceArea131.45
Druglikeness0.93134
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms24
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms13
Symmetricatoms10
Aromatic Nitrogens3
StereoCon

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