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DocumentationIdentifier: MM296672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296672 |
| SMILES |
C#CCC(=O)C(C)=CC=O
|
| InChIKey |
HFGAOMCYQHMYSD-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
MM296656
Similarity: 0.7744
Similarity to MM296656
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8729 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175520
Similarity: 0.7417
Similarity to MM175520
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296687
Similarity: 0.7122
Similarity to MM296687
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.832 |
| Dice metric | 0.8319 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
