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DocumentationIdentifier: MM43106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43106 |
| SMILES |
C#CC(NC)C(O)C=CF
|
| InChIKey |
KPJWXFOZAJGJJX-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174095
Similarity: 0.7338
Similarity to MM174095
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8464 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78918
Similarity: 0.6948
Similarity to MM78918
| Tanimoto metric | 0.6948 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8199 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46604
Similarity: 0.6667
Similarity to MM46604
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.8 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
