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DocumentationIdentifier: MM111711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111711 |
| SMILES |
C=C(CF)C(O)CN
|
| InChIKey |
KAQRUNFNSBVXDU-UHFFFAOYSA-N
|
| MW [Da] |
119.14
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160770
Similarity: 0.7658
Similarity to MM160770
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172353
Similarity: 0.7589
Similarity to MM172353
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65620
Similarity: 0.7083
Similarity to MM65620
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+645 more
