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DocumentationIdentifier: MM420799
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420799 |
| SMILES |
CCOCC=CC1CC1C
|
| InChIKey |
NCHGMOFCSRAQEX-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.24
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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MM195667
Similarity: 0.9175
Similarity to MM195667
| Tanimoto metric | 0.9175 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.957 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7835 |
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| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM426249
Similarity: 0.7177
Similarity to MM426249
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8357 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
