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DocumentationIdentifier: MM70686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70686 |
| SMILES |
C#CC=CC(C#C)NC=N
|
| InChIKey |
SXJMXEWSVWUQJU-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389209
Similarity: 0.7073
Similarity to MM389209
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8286 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378523
Similarity: 0.6797
Similarity to MM378523
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.8093 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378332
Similarity: 0.6417
Similarity to MM378332
| Tanimoto metric | 0.6417 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.7817 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
