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DocumentationIdentifier: MM225808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225808 |
| SMILES |
C=C(C(C)=O)C(C)(C)C=O
|
| InChIKey |
WZCOPOSWRGFWGX-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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MM161044
Similarity: 0.768
Similarity to MM161044
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234908
Similarity: 0.6795
Similarity to MM234908
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.8092 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129912
Similarity: 0.664
Similarity to MM129912
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.7981 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
