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DocumentationIdentifier: MM217139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217139 |
| SMILES |
C=CC1NC1C=CCN
|
| InChIKey |
CYVZRGAVOACVEV-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441622
Similarity: 0.9815
Similarity to MM441622
| Tanimoto metric | 0.9815 |
|---|---|
| Cosine metric | 0.9907 |
| Dice metric | 0.9907 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448028
Similarity: 0.9217
Similarity to MM448028
| Tanimoto metric | 0.9217 |
|---|---|
| Cosine metric | 0.9601 |
| Dice metric | 0.9593 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124908
Similarity: 0.8491
Similarity to MM124908
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
