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DocumentationIdentifier: MM334573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334573 |
| SMILES |
C#CC(=CF)NC(=O)CF
|
| InChIKey |
XRDSMUVUBNRUII-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150589
Similarity: 0.7535
Similarity to MM150589
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8594 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43241
Similarity: 0.7394
Similarity to MM43241
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334651
Similarity: 0.6369
Similarity to MM334651
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7786 |
| Dice metric | 0.7782 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
