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DocumentationIdentifier: MM94043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94043 |
| SMILES |
COC(CC#N)C(O)C#N
|
| InChIKey |
FRVLOBAJHSPDCW-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.2
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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MM53206
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| Tanimoto metric | 0.8692 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.93 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8318 |
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| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM93975
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| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8357 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
