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DocumentationIdentifier: MM234653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234653 |
| SMILES |
CCC(O)C(C)(C)C(C)=O
|
| InChIKey |
LYEBDVMOVMJLBA-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132909
Similarity: 0.7557
Similarity to MM132909
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160099
Similarity: 0.7328
Similarity to MM160099
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234780
Similarity: 0.7255
Similarity to MM234780
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8409 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
