(2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide

Formula:C14H14N4O6 Mutagenic:high Tumorigenic:none Reproductive Effective:low (2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide is a drug-like molecule.

MolName(2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide
MolecularFormulaC14H14N4O6
SmilesO[C@@H]([C@@H](C(N/N=C\c1ccco1)=O)O)C(N/N=C\c1ccco1)=O
InChIInChI=1S/C14H14N4O6/c19-11(13(21)17-15-7-9-3-1-5-23-9)12(20)14(22)18-16-8-10-4-2-6-24-10/h1-8,11-12,19-20H,(H,17,21)(H,18,22)/t11-,12-/m0/s1
InChIKQYPUXKGGQLPMLM-RYUDHWBXSA-N
TotalMolweight334.287
Molweight334.287
MonoisotopicMass334.091336
CLogP-0.219
CLogS-3.224
H Acceptors10
H Donors4
TotalSurfaceArea258.04
Relative PSA0.49
PolarSurfaceArea149.66
Druglikeness5.4288
Mutagenichigh
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms4
Symmetricatoms12
StereoConthis enantiomer

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