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DocumentationIdentifier: MM195568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195568 |
| SMILES |
C=CC=COC1CC1C
|
| InChIKey |
VVJXFQMMQCCORJ-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124845
Similarity: 0.8878
Similarity to MM124845
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420079
Similarity: 0.8073
Similarity to MM420079
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8934 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195600
Similarity: 0.7699
Similarity to MM195600
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.87 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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