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DocumentationIdentifier: MM44507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44507 |
| SMILES |
C=CC(CO)OC(C)=O
|
| InChIKey |
KLDFRVRYYGEMFX-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329451
Similarity: 0.7951
Similarity to MM329451
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79983
Similarity: 0.7519
Similarity to MM79983
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104373
Similarity: 0.6701
Similarity to MM104373
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
