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DocumentationIdentifier: MM80537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80537 |
| SMILES |
C=CCN(C=NC)CCO
|
| InChIKey |
SOKRAFTZNNIADW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177998
Similarity: 0.7895
Similarity to MM177998
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178161
Similarity: 0.7158
Similarity to MM178161
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8344 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178198
Similarity: 0.7053
Similarity to MM178198
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8272 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
