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DocumentationIdentifier: MM457984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457984 |
| SMILES |
C=CC#CC=COC=CC
|
| InChIKey |
BWSMYRDVQBDEFN-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.24
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 | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.9507 |
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| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215450
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| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+535 more
