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DocumentationIdentifier: MM368745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368745 |
| SMILES |
C=CC=CC#CC(=O)CC
|
| InChIKey |
GLRDYYKMYKNFRK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170804
Similarity: 0.8605
Similarity to MM170804
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368789
Similarity: 0.8065
Similarity to MM368789
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8929 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368659
Similarity: 0.7957
Similarity to MM368659
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8862 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
