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DocumentationIdentifier: MM334598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334598 |
| SMILES |
C#CC(=CF)OC(=O)CO
|
| InChIKey |
JMNCUAJPOJDIMM-UHFFFAOYSA-N
|
| MW [Da] |
144.1
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150599
Similarity: 0.7887
Similarity to MM150599
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43394
Similarity: 0.7254
Similarity to MM43394
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43266
Similarity: 0.7113
Similarity to MM43266
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
