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DocumentationIdentifier: MM392837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392837 |
| SMILES |
N=C(N)C(CF)CCCN
|
| InChIKey |
NWQKCRRDIHNBBG-UHFFFAOYSA-N
|
| MW [Da] |
147.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179790
Similarity: 0.8673
Similarity to MM179790
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.9289 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392839
Similarity: 0.816
Similarity to MM392839
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8987 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392835
Similarity: 0.7481
Similarity to MM392835
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8559 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
