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DocumentationIdentifier: MM395449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395449 |
| SMILES |
CCN(C=CCN)C(C)=N
|
| InChIKey |
MGRBZIKWOGBFIB-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200653
Similarity: 0.7103
Similarity to MM200653
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305725
Similarity: 0.6522
Similarity to MM305725
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7895 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305870
Similarity: 0.6383
Similarity to MM305870
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7813 |
| Dice metric | 0.7792 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
