[(Z)-[2-(4-hydroxyphenyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
Formula:C14H18NO10S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-(4-hydroxyphenyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate is not a drug-like molecule.
| MolName | [(Z)-[2-(4-hydroxyphenyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate |
| MolecularFormula | C14H18NO10S2 |
| Smiles | [O-]S(O/N=C(/Cc(cc1)ccc1O)\SC(C(C1O)O)OC(CO)C1O)(=O)=O |
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1 |
| InChIK | WWBNBPSEKLOHJU-UHFFFAOYSA-M |
| TotalMolweight | 424.426 |
| Molweight | 424.426 |
| MonoisotopicMass | 424.037214 |
| CLogP | -2.3426 |
| CLogS | 0.173 |
| H Acceptors | 11 |
| H Donors | 5 |
| TotalSurfaceArea | 278.1 |
| Relative PSA | 0.56584 |
| PolarSurfaceArea | 222.85 |
| Druglikeness | -4.2817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| StereoCenters | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(Z)-[2-(4-hydroxyphenyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate | 2 - [(Z)-[2-(4-hydroxyphenyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
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