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DocumentationIdentifier: MM173171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173171 |
| SMILES |
C=C(OC=O)C(C)OC
|
| InChIKey |
YNKBDXJXGDJWQG-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.71
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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MM34575
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Similarity to MM34575
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM409479
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| Tanimoto metric | 0.7576 |
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| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242295
Similarity: 0.7194
Similarity to MM242295
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
