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DocumentationIdentifier: MM357871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357871 |
| SMILES |
C#CC=CC(=C)CNC=N
|
| InChIKey |
IJNZIGUYWJUCGO-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
MM157303
Similarity: 0.8144
Similarity to MM157303
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157992
Similarity: 0.7938
Similarity to MM157992
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357740
Similarity: 0.7315
Similarity to MM357740
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8449 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
