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DocumentationIdentifier: MM71976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71976 |
| SMILES |
C#CC(C)(C#C)C(=N)NC
|
| InChIKey |
QUTIVTJOYUAEFU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71877
Similarity: 0.7477
Similarity to MM71877
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67729
Similarity: 0.7207
Similarity to MM67729
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242415
Similarity: 0.7068
Similarity to MM242415
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8282 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
