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DocumentationIdentifier: MM292523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292523 |
| SMILES |
C#CC#CC=C(C)NC=O
|
| InChIKey |
UAOPRWKGPJGFOV-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45103
Similarity: 0.7706
Similarity to MM45103
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8705 |
| Dice metric | 0.8705 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292499
Similarity: 0.7477
Similarity to MM292499
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8557 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292516
Similarity: 0.7411
Similarity to MM292516
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8513 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
