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DocumentationIdentifier: MM325362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325362 |
| SMILES |
C=CC(C)=COC(=O)CO
|
| InChIKey |
MFGGNURMMFJUTE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.61
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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MM146712
Similarity: 0.7843
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| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7647 |
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| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM347438
Similarity: 0.7273
Similarity to MM347438
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8421 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
