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DocumentationIdentifier: MM239612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239612 |
| SMILES |
CCCCCC(C)(F)C#N
|
| InChIKey |
UWJPYJYNDCBULG-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138344
Similarity: 0.9091
Similarity to MM138344
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239615
Similarity: 0.8632
Similarity to MM239615
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9266 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60627
Similarity: 0.8333
Similarity to MM60627
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
