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DocumentationIdentifier: MM387730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387730 |
| SMILES |
C#CC(COCC)NC=N
|
| InChIKey |
MZVLXMVJICNFDK-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68934
Similarity: 0.7054
Similarity to MM68934
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8273 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68920
Similarity: 0.6741
Similarity to MM68920
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8053 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291449
Similarity: 0.6379
Similarity to MM291449
| Tanimoto metric | 0.6379 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7789 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
