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DocumentationIdentifier: MM56406
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56406 |
| SMILES |
CCC(O)C(N)C=CF
|
| InChIKey |
SJKLVFWWJWPJGI-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55974
Similarity: 0.8655
Similarity to MM55974
| Tanimoto metric | 0.8655 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9279 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294248
Similarity: 0.8306
Similarity to MM294248
| Tanimoto metric | 0.8306 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9075 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54989
Similarity: 0.7744
Similarity to MM54989
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8729 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
