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DocumentationIdentifier: MM126539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126539 |
| SMILES |
O=CC=CC=CC=O
|
| InChIKey |
NDCAAPXLWRAESY-UHFFFAOYSA-N
|
| MW [Da] |
110.11
Automatically obtained from RDkit software. |
| LogP |
0.5
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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| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
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|---|---|---|---|---|---|
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Total active interactions
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MM39669
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8686 |
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| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
