2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetate
Formula:C13H8N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetate is a drug-like molecule.
| MolName | 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetate |
| MolecularFormula | C13H8N3O4S2 |
| Smiles | [O-]C(CN(c(cccc1)c1/C1=N\N(C(CS2)=O)C2=S)C1=O)=O |
| InChI | InChI=1S/C13H9N3O4S2/c17-9-6-22-13(21)16(9)14-11-7-3-1-2-4-8(7)15(12(11)20)5-10(18)19/h1-4H,5-6H2,(H,18,19)/p-1 |
| InChIK | HUFJNSODEZSGHA-UHFFFAOYSA-M |
| TotalMolweight | 334.356 |
| Molweight | 334.356 |
| MonoisotopicMass | 333.995622 |
| CLogP | -3.0207 |
| CLogS | -3.264 |
| H Acceptors | 7 |
| TotalSurfaceArea | 228.33 |
| Relative PSA | 0.51461 |
| PolarSurfaceArea | 150.5 |
| Druglikeness | -4.2534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetate | 2 - 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off