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DocumentationIdentifier: MM349854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349854 |
| SMILES |
C#CC(N)C(O)C(=C)CC
|
| InChIKey |
JTHRSSMIAXQXON-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
MM160310
Similarity: 0.7866
Similarity to MM160310
| Tanimoto metric | 0.7866 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35651
Similarity: 0.6582
Similarity to MM35651
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7938 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353171
Similarity: 0.6553
Similarity to MM353171
| Tanimoto metric | 0.6553 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7918 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
