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DocumentationIdentifier: MM387028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387028 |
| SMILES |
C=CCCN(C=N)CCC
|
| InChIKey |
JWBUAIUEWFPDBJ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199024
Similarity: 0.9189
Similarity to MM199024
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388758
Similarity: 0.7473
Similarity to MM388758
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8553 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387425
Similarity: 0.7473
Similarity to MM387425
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8553 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
