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DocumentationIdentifier: MM24016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24016 |
| SMILES |
C=CC#CC(N)C(O)C=C
|
| InChIKey |
JJTWTLUVZZEWBO-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34879
Similarity: 0.8594
Similarity to MM34879
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.927 |
| Dice metric | 0.9244 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34116
Similarity: 0.7692
Similarity to MM34116
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294426
Similarity: 0.7092
Similarity to MM294426
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8299 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
