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DocumentationIdentifier: MM234855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234855 |
| SMILES |
C=C(CC)C(C)(C)C(C)=O
|
| InChIKey |
MPYYMPTWTMEICS-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132950
Similarity: 0.7576
Similarity to MM132950
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160477
Similarity: 0.7348
Similarity to MM160477
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8472 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234908
Similarity: 0.7134
Similarity to MM234908
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8327 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
