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DocumentationIdentifier: MM382623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382623 |
| SMILES |
C#CC=C(C=C)CNC=N
|
| InChIKey |
LBIARDQTUMYIFE-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
MM200144
Similarity: 0.787
Similarity to MM200144
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159033
Similarity: 0.713
Similarity to MM159033
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8324 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416858
Similarity: 0.6855
Similarity to MM416858
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8134 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
