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DocumentationIdentifier: MM144480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144480 |
| SMILES |
C=C(F)CNC(C)C#N
|
| InChIKey |
HTUGTEZQKCKULR-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320386
Similarity: 0.7864
Similarity to MM320386
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341018
Similarity: 0.7168
Similarity to MM341018
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8351 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268620
Similarity: 0.6864
Similarity to MM268620
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8141 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
