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DocumentationIdentifier: MM40776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40776 |
| SMILES |
N#CC(CF)NCCCF
|
| InChIKey |
PNRKTBILTHDMCJ-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403069
Similarity: 0.7843
Similarity to MM403069
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8791 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40191
Similarity: 0.7524
Similarity to MM40191
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8587 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262236
Similarity: 0.6875
Similarity to MM262236
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8148 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
