Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM233616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233616 |
| SMILES |
CC#CC(F)(F)C(O)C#N
|
| InChIKey |
BLKSDYIUYLXDTM-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15450
Similarity: 0.7733
Similarity to MM15450
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 131.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50880
Similarity: 0.72
Similarity to MM50880
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90365
Similarity: 0.6646
Similarity to MM90365
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7985 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
