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DocumentationIdentifier: MM265526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265526 |
| SMILES |
CCN(C)CC(F)=CC#N
|
| InChIKey |
LXSAIQQUKZNHTB-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM136010
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Similarity to MM136010
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265018
Similarity: 0.6992
Similarity to MM265018
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.823 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264976
Similarity: 0.64
Similarity to MM264976
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7805 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
