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DocumentationIdentifier: MM243728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243728 |
| SMILES |
C=CCC(C)(C=O)C(C)O
|
| InChIKey |
PJANRMCYXXBBGN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
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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MM52181
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Similarity to MM52181
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234835
Similarity: 0.6463
Similarity to MM234835
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7852 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376791
Similarity: 0.6259
Similarity to MM376791
| Tanimoto metric | 0.6259 |
|---|---|
| Cosine metric | 0.771 |
| Dice metric | 0.7699 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
