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DocumentationIdentifier: MM316001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316001 |
| SMILES |
N#CC(O)CCC(F)C#N
|
| InChIKey |
CQSFDONFBLUWLT-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM315535
Similarity: 0.7297
Similarity to MM315535
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8438 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315539
Similarity: 0.7009
Similarity to MM315539
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315573
Similarity: 0.6983
Similarity to MM315573
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8223 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
