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DocumentationIdentifier: MM367071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367071 |
| SMILES |
C#CC(=O)C=CC#CC=C
|
| InChIKey |
JPYGTJPYSJYUCH-UHFFFAOYSA-N
|
| MW [Da] |
130.15
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
MM170305
Similarity: 0.9091
Similarity to MM170305
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367079
Similarity: 0.8256
Similarity to MM367079
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9046 |
| Dice metric | 0.9045 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367061
Similarity: 0.8235
Similarity to MM367061
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.9032 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
