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DocumentationIdentifier: MM349399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349399 |
| SMILES |
C#CC(=C)C(O)C(N)CC
|
| InChIKey |
WTQVTGXSRHUAIX-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
MM75160
Similarity: 0.6951
Similarity to MM75160
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35651
Similarity: 0.6667
Similarity to MM35651
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349401
Similarity: 0.645
Similarity to MM349401
| Tanimoto metric | 0.645 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7842 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
