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DocumentationIdentifier: MM41891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41891 |
| SMILES |
CC(F)(C#N)CCC#N
|
| InChIKey |
PUIYVMJOPOPXDF-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77349
Similarity: 0.8556
Similarity to MM77349
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28543
Similarity: 0.8312
Similarity to MM28543
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141826
Similarity: 0.7529
Similarity to MM141826
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8591 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
