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DocumentationIdentifier: MM355422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355422 |
| SMILES |
C#CC=CC(O)C(N)CO
|
| InChIKey |
VUAJEBPPLUQLGL-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173957
Similarity: 0.792
Similarity to MM173957
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73345
Similarity: 0.776
Similarity to MM73345
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355097
Similarity: 0.7021
Similarity to MM355097
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.825 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
