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DocumentationIdentifier: MM217119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217119 |
| SMILES |
C#CC=CC1NC1CN
|
| InChIKey |
RXFDIZCGEPJETB-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441363
Similarity: 0.8375
Similarity to MM441363
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127948
Similarity: 0.7836
Similarity to MM127948
| Tanimoto metric | 0.7836 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448014
Similarity: 0.7613
Similarity to MM448014
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8645 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
