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DocumentationIdentifier: MM156768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156768 |
| SMILES |
C=COC(C)CC=CC
|
| InChIKey |
LMVSAGKQNIQMFC-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.5
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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MM279944
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279984
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| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279945
Similarity: 0.7955
Similarity to MM279945
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+673 more
