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DocumentationIdentifier: MM433757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433757 |
| SMILES |
CC#CC#CC(C=O)CC
|
| InChIKey |
XLAWUSWOCNHYFH-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201290
Similarity: 0.878
Similarity to MM201290
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380151
Similarity: 0.7579
Similarity to MM380151
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8623 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294652
Similarity: 0.7551
Similarity to MM294652
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8605 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
