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DocumentationIdentifier: MM163443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163443 |
| SMILES |
C=C(C)C(=O)C=CC=O
|
| InChIKey |
MNYHSCMPZCVMIQ-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.89
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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MM255651
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108719
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| Tanimoto metric | 0.8148 |
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| Cosine metric | 0.9027 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.71 |
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Total active interactions
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MM247726
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| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+213 more
