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DocumentationIdentifier: MM231861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231861 |
| SMILES |
CC(=COC=O)C(C)(C)C
|
| InChIKey |
ONEIJDCTNZKYTD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163832
Similarity: 0.8452
Similarity to MM163832
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132266
Similarity: 0.7976
Similarity to MM132266
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231860
Similarity: 0.7053
Similarity to MM231860
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8272 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
