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DocumentationIdentifier: MM48538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48538 |
| SMILES |
N#CCOCC(F)C#N
|
| InChIKey |
OLHCSYIHUNCXMZ-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36172
Similarity: 0.8333
Similarity to MM36172
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165989
Similarity: 0.7595
Similarity to MM165989
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8633 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33331
Similarity: 0.75
Similarity to MM33331
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
