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DocumentationIdentifier: MM334998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334998 |
| SMILES |
CC=C(C)OC(C=O)=CC
|
| InChIKey |
WJFXCIVZLRZHMG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM150557
Similarity: 0.899
Similarity to MM150557
| Tanimoto metric | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9468 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143198
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| Tanimoto metric | 0.8788 |
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| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273865
Similarity: 0.7949
Similarity to MM273865
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8857 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
