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DocumentationIdentifier: MM78448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78448 |
| SMILES |
C#CC(=N)NC=CCOC
|
| InChIKey |
SFXFKJHYBJLNFZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168882
Similarity: 0.866
Similarity to MM168882
| Tanimoto metric | 0.866 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70390
Similarity: 0.7434
Similarity to MM70390
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8528 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84453
Similarity: 0.6907
Similarity to MM84453
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
