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DocumentationIdentifier: MM242365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242365 |
| SMILES |
C=CC(C)(O)C(=C)CC=O
|
| InChIKey |
OBWLGLAZSLJZQF-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
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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MM132123
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Similarity to MM132123
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400824
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Similarity to MM400824
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7865 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351502
Similarity: 0.6279
Similarity to MM351502
| Tanimoto metric | 0.6279 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7714 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
