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DocumentationIdentifier: MM108265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108265 |
| SMILES |
NC(=O)C(O)CC=O
|
| InChIKey |
HDOMVOCWMFZCOF-UHFFFAOYSA-N
|
| MW [Da] |
117.1
Automatically obtained from RDkit software. |
| LogP |
-1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98480
Similarity: 0.7838
Similarity to MM98480
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133721
Similarity: 0.7789
Similarity to MM133721
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108175
Similarity: 0.7294
Similarity to MM108175
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8435 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
