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DocumentationIdentifier: MM288962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288962 |
| SMILES |
CCC#CC=CCC(=N)N
|
| InChIKey |
GSMJPHHOWCLIGR-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153871
Similarity: 0.9103
Similarity to MM153871
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288983
Similarity: 0.8554
Similarity to MM288983
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9221 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289002
Similarity: 0.8068
Similarity to MM289002
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8931 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+671 more
