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DocumentationIdentifier: MM227065
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227065 |
| SMILES |
C=CC(=O)CC(C)(C)C=O
|
| InChIKey |
BOTBXIIWCLGWKG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM142371
Similarity: 0.7895
Similarity to MM142371
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130183
Similarity: 0.6842
Similarity to MM130183
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264350
Similarity: 0.6579
Similarity to MM264350
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7937 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
