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DocumentationIdentifier: MM179790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179790 |
| SMILES |
CCCC(CF)C(=N)N
|
| InChIKey |
YXFVQDRUFZBJPF-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392837
Similarity: 0.8673
Similarity to MM392837
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.9289 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392839
Similarity: 0.8596
Similarity to MM392839
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM392835
Similarity: 0.8448
Similarity to MM392835
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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