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DocumentationIdentifier: MM289006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289006 |
| SMILES |
C#CC#CC=CNC(C)=N
|
| InChIKey |
YOIXPIXFXBTYGH-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153875
Similarity: 0.8795
Similarity to MM153875
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288987
Similarity: 0.8391
Similarity to MM288987
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9131 |
| Dice metric | 0.9125 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288965
Similarity: 0.7766
Similarity to MM288965
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8743 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
