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DocumentationIdentifier: MM376963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376963 |
| SMILES |
C#CC(F)C(C=O)OCC
|
| InChIKey |
IJFRGSSLABKVHZ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53273
Similarity: 0.8288
Similarity to MM53273
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377009
Similarity: 0.6893
Similarity to MM377009
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8161 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348711
Similarity: 0.6159
Similarity to MM348711
| Tanimoto metric | 0.6159 |
|---|---|
| Cosine metric | 0.7663 |
| Dice metric | 0.7623 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
