Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM76960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76960 |
| SMILES |
C#CC(=O)C(F)(C#N)C#N
|
| InChIKey |
JVIOROKUVWVZMG-UHFFFAOYSA-N
|
| MW [Da] |
136.09
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41733
Similarity: 0.8792
Similarity to MM41733
| Tanimoto metric | 0.8792 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9357 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242712
Similarity: 0.7238
Similarity to MM242712
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8397 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140113
Similarity: 0.698
Similarity to MM140113
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8221 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
