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DocumentationIdentifier: MM248444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248444 |
| SMILES |
CCC(=O)CC(C)=C(C)C
|
| InChIKey |
AFXYLENTRUSFPB-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143065
Similarity: 0.8283
Similarity to MM143065
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134397
Similarity: 0.7879
Similarity to MM134397
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265041
Similarity: 0.7455
Similarity to MM265041
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8542 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
