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DocumentationIdentifier: MM307628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307628 |
| SMILES |
CC(O)COCC(=O)O
|
| InChIKey |
UMPBXBOLMWZWSS-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM258123
Similarity: 0.8023
Similarity to MM258123
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407781
Similarity: 0.7582
Similarity to MM407781
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM63883
Similarity: 0.734
Similarity to MM63883
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
