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DocumentationIdentifier: MM170828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170828 |
| SMILES |
C=C(C#CC=CC)C=O
|
| InChIKey |
DPWFDYKHYVZERG-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368863
Similarity: 0.8947
Similarity to MM368863
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368838
Similarity: 0.8718
Similarity to MM368838
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368804
Similarity: 0.8718
Similarity to MM368804
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
