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DocumentationIdentifier: MM378332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378332 |
| SMILES |
C#CC=CC(C=C)NC=N
|
| InChIKey |
SFXYJGSGXRNHSI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378129
Similarity: 0.6636
Similarity to MM378129
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7978 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389147
Similarity: 0.6574
Similarity to MM389147
| Tanimoto metric | 0.6574 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7933 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70686
Similarity: 0.6417
Similarity to MM70686
| Tanimoto metric | 0.6417 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.7817 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
