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DocumentationIdentifier: MM75078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75078 |
| SMILES |
C=CC(N)C(=C)C(=C)CN
|
| InChIKey |
DGEBPYCEPOSZBJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161053
Similarity: 0.8293
Similarity to MM161053
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352134
Similarity: 0.7589
Similarity to MM352134
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8629 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81844
Similarity: 0.7398
Similarity to MM81844
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8505 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
