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DocumentationIdentifier: MM370074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370074 |
| SMILES |
C#CC(=O)CCC=CC=O
|
| InChIKey |
KNRWPQIRKSPCOH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370011
Similarity: 0.881
Similarity to MM370011
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9367 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167617
Similarity: 0.878
Similarity to MM167617
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370140
Similarity: 0.7826
Similarity to MM370140
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.878 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
