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DocumentationIdentifier: MM330256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330256 |
| SMILES |
C=CC(C#N)NC(=O)CO
|
| InChIKey |
ZMOBFPZUPPEKPO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44544
Similarity: 0.75
Similarity to MM44544
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142276
Similarity: 0.6894
Similarity to MM142276
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8161 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330267
Similarity: 0.6549
Similarity to MM330267
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7976 |
| Dice metric | 0.7915 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
