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DocumentationIdentifier: MM318015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318015 |
| SMILES |
C=CC(=O)NCC(O)C#N
|
| InChIKey |
GNWXUMAOZTUSAG-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
MM144445
Similarity: 0.7731
Similarity to MM144445
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263720
Similarity: 0.7647
Similarity to MM263720
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM317496
Similarity: 0.6788
Similarity to MM317496
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8087 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
