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DocumentationIdentifier: MM349401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349401 |
| SMILES |
C#CC(=C)C(O)C(N)CN
|
| InChIKey |
DAEFJNHUKVUPFP-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35651
Similarity: 0.6465
Similarity to MM35651
| Tanimoto metric | 0.6465 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7853 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349399
Similarity: 0.645
Similarity to MM349399
| Tanimoto metric | 0.645 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7842 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223856
Similarity: 0.6373
Similarity to MM223856
| Tanimoto metric | 0.6373 |
|---|---|
| Cosine metric | 0.7785 |
| Dice metric | 0.7784 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
