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DocumentationIdentifier: MM221300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221300 |
| SMILES |
CC(C)(O)CC(=O)C=CF
|
| InChIKey |
MSFFYDBECJNTOV-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135827
Similarity: 0.7833
Similarity to MM135827
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8785 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223380
Similarity: 0.6884
Similarity to MM223380
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8155 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221299
Similarity: 0.6667
Similarity to MM221299
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
