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DocumentationIdentifier: MM26799
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26799 |
| SMILES |
C=C(C)C#CC(N)C(C)O
|
| InChIKey |
LWEGVJVEVZLPAX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294426
Similarity: 0.695
Similarity to MM294426
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8201 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37939
Similarity: 0.6884
Similarity to MM37939
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8155 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293814
Similarity: 0.6617
Similarity to MM293814
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8043 |
| Dice metric | 0.7964 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
