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DocumentationIdentifier: MM289002
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289002 |
| SMILES |
C#CC#CC=CCC(=N)N
|
| InChIKey |
OLZNHWIUNMJQOP-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.51
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: 0.8765
Similarity to MM153871
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288983
Similarity: 0.8256
Similarity to MM288983
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9045 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288962
Similarity: 0.8068
Similarity to MM288962
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8931 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
