Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM58884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58884 |
| SMILES |
C#CC(=O)C(F)(F)CC#N
|
| InChIKey |
FSTOWTVQKXBARG-UHFFFAOYSA-N
|
| MW [Da] |
143.09
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50222
Similarity: 0.7376
Similarity to MM50222
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.849 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233482
Similarity: 0.6045
Similarity to MM233482
| Tanimoto metric | 0.6045 |
|---|---|
| Cosine metric | 0.7535 |
| Dice metric | 0.7535 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28397
Similarity: 0.5603
Similarity to MM28397
| Tanimoto metric | 0.5603 |
|---|---|
| Cosine metric | 0.7485 |
| Dice metric | 0.7182 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
