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DocumentationIdentifier: MM354847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354847 |
| SMILES |
C#CCNC(=O)C(F)=CF
|
| InChIKey |
PFOKDICDRRWBST-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
MM48078
Similarity: 0.763
Similarity to MM48078
| Tanimoto metric | 0.763 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.8655 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354778
Similarity: 0.7285
Similarity to MM354778
| Tanimoto metric | 0.7285 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8429 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354700
Similarity: 0.7051
Similarity to MM354700
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8271 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
