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DocumentationIdentifier: MM261720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261720 |
| SMILES |
C#CCC(C)CC(F)C#N
|
| InChIKey |
SWVDOGKGLBNVBC-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141627
Similarity: 0.7551
Similarity to MM141627
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316162
Similarity: 0.7248
Similarity to MM316162
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8404 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327561
Similarity: 0.7227
Similarity to MM327561
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.839 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
