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DocumentationIdentifier: MM361170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361170 |
| SMILES |
CC=CC=C(C)C(O)C=O
|
| InChIKey |
SYCYLENXXLVCKW-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
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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MM51045
Similarity: 0.8718
Similarity to MM51045
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383228
Similarity: 0.6959
Similarity to MM383228
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8207 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM366993
Similarity: 0.6838
Similarity to MM366993
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8122 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
