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DocumentationIdentifier: MM228445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228445 |
| SMILES |
COCC(C)CC(=O)O
|
| InChIKey |
IQJOSTZQDFYIJZ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM286532
Similarity: 0.7451
Similarity to MM286532
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM32918
Similarity: 0.7368
Similarity to MM32918
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328499
Similarity: 0.67
Similarity to MM328499
| Tanimoto metric | 0.67 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8024 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
