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DocumentationIdentifier: MM213712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213712 |
| SMILES |
COCCOC=CC=O
|
| InChIKey |
GEEIMINYITVOPO-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126098
Similarity: 0.8868
Similarity to MM126098
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125790
Similarity: 0.7358
Similarity to MM125790
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213341
Similarity: 0.7091
Similarity to MM213341
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8298 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
