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DocumentationIdentifier: MM179752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179752 |
| SMILES |
CC(C)C(C=O)OC=O
|
| InChIKey |
UFSFLQJBWVOKMQ-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.38
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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MM15750
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Similarity to MM15750
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275136
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| Tanimoto metric | 0.7281 |
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| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108123
Similarity: 0.6506
Similarity to MM108123
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.7883 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
