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DocumentationIdentifier: MM288965
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288965 |
| SMILES |
CCC#CC=CNC(C)=N
|
| InChIKey |
GGXRKDXCRLGEJM-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.5
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: 0.869
Similarity to MM153875
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288987
Similarity: 0.8295
Similarity to MM288987
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9068 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289006
Similarity: 0.7766
Similarity to MM289006
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8743 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
