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DocumentationIdentifier: MM305424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305424 |
| SMILES |
C=C(C)C(CC=O)CC=O
|
| InChIKey |
MEGRLTONSLAOOM-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
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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MM179854
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| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM34448
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| Tanimoto metric | 0.8169 |
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| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178028
Similarity: 0.7324
Similarity to MM178028
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
