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DocumentationIdentifier: MM176927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM176927 |
| SMILES |
C=COC1CC1(C)CC
|
| InChIKey |
SVIPDXRJVVVWCO-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.34
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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MM430816
Similarity: 0.9139
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| Tanimoto metric | 0.9139 |
|---|---|
| Cosine metric | 0.956 |
| Dice metric | 0.955 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373686
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| Tanimoto metric | 0.8734 |
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| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM115137
Similarity: 0.7826
Similarity to MM115137
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
