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DocumentationIdentifier: MM298641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298641 |
| SMILES |
C=C(C)OCC(=O)O
|
| InChIKey |
WFGTURSJYSHVJL-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
0.62
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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MM313778
Similarity: 0.7831
Similarity to MM313778
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144931
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| Tanimoto metric | 0.7647 |
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| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292465
Similarity: 0.7471
Similarity to MM292465
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
