2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Formula:C10H15N4O6BS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid |
| MolecularFormula | C10H15N4O6BS |
| Smiles | CC(C)(C(O)=O)O/N=C(\C(NCB(O)O)=O)/c1csc(N)n1 |
| InChI | InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18) |
| InChIK | ZECCQELUYUPTSB-UHFFFAOYSA-N |
| TotalMolweight | 330.128 |
| Molweight | 330.128 |
| MonoisotopicMass | 330.080536 |
| CLogP | 0.0153 |
| CLogS | -0.516 |
| H Acceptors | 10 |
| H Donors | 5 |
| TotalSurfaceArea | 238.75 |
| Relative PSA | 0.60712 |
| PolarSurfaceArea | 195.6 |
| Druglikeness | -5.165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid | 2 - 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off