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DocumentationIdentifier: MM132757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132757 |
| SMILES |
C=C(C)C(C)(C)OC=O
|
| InChIKey |
RKSHUDWWDXZJOI-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108284
Similarity: 0.7087
Similarity to MM108284
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8295 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244080
Similarity: 0.6398
Similarity to MM244080
| Tanimoto metric | 0.6398 |
|---|---|
| Cosine metric | 0.7998 |
| Dice metric | 0.7803 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243945
Similarity: 0.6242
Similarity to MM243945
| Tanimoto metric | 0.6242 |
|---|---|
| Cosine metric | 0.7901 |
| Dice metric | 0.7687 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
