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DocumentationIdentifier: MM269184
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269184 |
| SMILES |
C=C(CC(C)C)C(C)C=O
|
| InChIKey |
SWTRHERFKWBLQC-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
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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MM173226
Similarity: 0.8864
Similarity to MM173226
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351081
Similarity: 0.8511
Similarity to MM351081
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9195 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350741
Similarity: 0.7879
Similarity to MM350741
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8814 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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