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DocumentationIdentifier: MM261358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261358 |
| SMILES |
N#CCC(O)CC(F)CO
|
| InChIKey |
BHYXLUIDNMWCDW-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42728
Similarity: 0.7523
Similarity to MM42728
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261192
Similarity: 0.6833
Similarity to MM261192
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8119 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261636
Similarity: 0.6434
Similarity to MM261636
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.783 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
