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DocumentationIdentifier: MM169699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169699 |
| SMILES |
C=COC=CC(C)C#N
|
| InChIKey |
MQWMPDLVFBSMAG-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.82
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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MM364904
Similarity: 0.9385
Similarity to MM364904
| Tanimoto metric | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36918
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| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM241176
Similarity: 0.8243
Similarity to MM241176
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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