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DocumentationIdentifier: MM82577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82577 |
| SMILES |
C#CC(=O)C(O)C(=C)C=C
|
| InChIKey |
UFZUZEILRZNJKO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47457
Similarity: 0.7679
Similarity to MM47457
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8687 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47427
Similarity: 0.7202
Similarity to MM47427
| Tanimoto metric | 0.7202 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82606
Similarity: 0.6515
Similarity to MM82606
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.789 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
