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DocumentationIdentifier: MM220502
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220502 |
| SMILES |
CC(C)(C)C(=O)C(C)(C)O
|
| InChIKey |
OZYZMDZCGQDZQN-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
MM39929
Similarity: 0.8039
Similarity to MM39929
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28370
Similarity: 0.6765
Similarity to MM28370
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57559
Similarity: 0.6385
Similarity to MM57559
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.78 |
| Dice metric | 0.7793 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
