2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Formula:C20H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid |
| MolecularFormula | C20H19N3O6S |
| Smiles | OC(CN(C(/C(/S1)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O)=O |
| InChI | InChI=1S/C20H19N3O6S/c24-17(21-5-7-29-8-6-21)11-22-10-13(14-3-1-2-4-15(14)22)9-16-19(27)23(12-18(25)26)20(28)30-16/h1-4,9-10H,5-8,11-12H2,(H,25,26) |
| InChIK | JBMMYZJFAYTSEH-UHFFFAOYSA-N |
| TotalMolweight | 429.452 |
| Molweight | 429.452 |
| MonoisotopicMass | 429.099457 |
| CLogP | 0.2134 |
| CLogS | -1.927 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 302.77 |
| Relative PSA | 0.35248 |
| PolarSurfaceArea | 134.45 |
| Druglikeness | -1.1733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
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