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DocumentationIdentifier: MM409479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409479 |
| SMILES |
C=CC(OC)C(=C)OC=O
|
| InChIKey |
CMPHPQHWCAZZFK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173171
Similarity: 0.7576
Similarity to MM173171
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242295
Similarity: 0.5848
Similarity to MM242295
| Tanimoto metric | 0.5848 |
|---|---|
| Cosine metric | 0.7383 |
| Dice metric | 0.738 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410103
Similarity: 0.578
Similarity to MM410103
| Tanimoto metric | 0.578 |
|---|---|
| Cosine metric | 0.733 |
| Dice metric | 0.7326 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
