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DocumentationIdentifier: MM330254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330254 |
| SMILES |
C=CC(C=O)NC(=O)CO
|
| InChIKey |
HQZZOXJVXRSAKZ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150130
Similarity: 0.7402
Similarity to MM150130
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8507 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142276
Similarity: 0.7165
Similarity to MM142276
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142278
Similarity: 0.6929
Similarity to MM142278
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
