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DocumentationIdentifier: MM224405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224405 |
| SMILES |
CC#CC#CC(N)C(F)F
|
| InChIKey |
OEEAHIIWVDBLLW-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224918
Similarity: 0.8977
Similarity to MM224918
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231743
Similarity: 0.767
Similarity to MM231743
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8681 |
| MW: | 147.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56778
Similarity: 0.7391
Similarity to MM56778
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8543 |
| Dice metric | 0.85 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
