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DocumentationIdentifier: MM244256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244256 |
| SMILES |
C#CC(N)(C#CC)C(F)F
|
| InChIKey |
CFCVIRNPYAONLE-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 |
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MM58476
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Similarity to MM58476
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8362 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM312006
Similarity: 0.6547
Similarity to MM312006
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7913 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
