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DocumentationIdentifier: MM262246
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262246 |
| SMILES |
C=CC(=O)CC(C)CC=O
|
| InChIKey |
OIJNLQXCVVPEMR-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 |
Similar entries
MM142110
Similarity: 0.8571
Similarity to MM142110
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328900
Similarity: 0.8
Similarity to MM328900
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8889 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317943
Similarity: 0.7368
Similarity to MM317943
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8485 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
