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DocumentationIdentifier: MM428147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM428147 |
| SMILES |
CC#CC=CC(C#N)NC
|
| InChIKey |
JAARWOFYLZZEQK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43488
Similarity: 0.8447
Similarity to MM43488
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395381
Similarity: 0.696
Similarity to MM395381
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8208 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170266
Similarity: 0.6893
Similarity to MM170266
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8161 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
