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DocumentationIdentifier: MM432429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432429 |
| SMILES |
C#CCC#CC(C=O)OC
|
| InChIKey |
CLUAXTMNXMTAQB-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201261
Similarity: 0.8542
Similarity to MM201261
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432352
Similarity: 0.7885
Similarity to MM432352
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8817 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432143
Similarity: 0.7455
Similarity to MM432143
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8542 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
