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DocumentationIdentifier: MM56578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56578 |
| SMILES |
O=CNC=COCCO
|
| InChIKey |
PNXSXDHDZIFWPG-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92899
Similarity: 0.7792
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| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287970
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| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM317882
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| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
