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DocumentationIdentifier: MM264706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264706 |
| SMILES |
CC#CC(C)CC(=N)NC
|
| InChIKey |
DAFYIFFVVNZPML-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142451
Similarity: 0.8148
Similarity to MM142451
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330794
Similarity: 0.7586
Similarity to MM330794
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8627 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237692
Similarity: 0.6975
Similarity to MM237692
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8218 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
