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DocumentationIdentifier: MM274963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274963 |
| SMILES |
CC(O)CC(C=O)C(C)C
|
| InChIKey |
FBXXFFVBUMRECF-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149739
Similarity: 0.8
Similarity to MM149739
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272059
Similarity: 0.7238
Similarity to MM272059
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8398 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326585
Similarity: 0.7091
Similarity to MM326585
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8298 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
