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DocumentationIdentifier: MM160310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160310 |
| SMILES |
C#CC(N)C(O)C(=C)C
|
| InChIKey |
BUMUKSSBWWIVDU-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
-0.12
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: 0.8012
Similarity to MM35651
| Tanimoto metric | 0.8012 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8897 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349854
Similarity: 0.7866
Similarity to MM349854
| Tanimoto metric | 0.7866 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353169
Similarity: 0.7588
Similarity to MM353169
| Tanimoto metric | 0.7588 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
