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DocumentationIdentifier: MM226894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226894 |
| SMILES |
C=CC(=O)OC(C)(C)CC
|
| InChIKey |
FSVQAZDYQRQQKH-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142158
Similarity: 0.7876
Similarity to MM142158
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130799
Similarity: 0.7434
Similarity to MM130799
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329006
Similarity: 0.7295
Similarity to MM329006
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8436 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
