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DocumentationIdentifier: MM292985
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292985 |
| SMILES |
C=CCC=CN(C)C(C)=N
|
| InChIKey |
HUVXMFACTPPFEH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163232
Similarity: 0.8889
Similarity to MM163232
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305974
Similarity: 0.7788
Similarity to MM305974
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8756 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305976
Similarity: 0.7586
Similarity to MM305976
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8627 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
