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DocumentationIdentifier: MM88724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88724 |
| SMILES |
CCCN=CNCCNC
|
| InChIKey |
ZUQFEPMSJUJELI-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88556
Similarity: 0.9138
Similarity to MM88556
| Tanimoto metric | 0.9138 |
|---|---|
| Cosine metric | 0.9559 |
| Dice metric | 0.955 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213594
Similarity: 0.7931
Similarity to MM213594
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451189
Similarity: 0.791
Similarity to MM451189
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8833 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
