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DocumentationIdentifier: MM358549
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358549 |
| SMILES |
C=C(C)C(O)C=CC
|
| InChIKey |
NXQIZWACLZRURH-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.5
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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MM368065
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| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350623
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| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
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| AI: | 0
Total active interactions
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MM356862
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| Tanimoto metric | 0.7471 |
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| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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