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DocumentationIdentifier: MM233493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233493 |
| SMILES |
C#CC(=C)C(C)(C)NC=O
|
| InChIKey |
CZJKCZVHCLNRTN-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50223
Similarity: 0.7589
Similarity to MM50223
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299510
Similarity: 0.7163
Similarity to MM299510
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295340
Similarity: 0.6585
Similarity to MM295340
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7941 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
