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DocumentationIdentifier: MM266324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266324 |
| SMILES |
CC=C(C)OC(C)=CC#N
|
| InChIKey |
FJVOFLBFXYIREY-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.35
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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MM136123
Similarity: 0.9302
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| Tanimoto metric | 0.9302 |
|---|---|
| Cosine metric | 0.9645 |
| Dice metric | 0.9639 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169001
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| Tanimoto metric | 0.7791 |
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| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM283984
Similarity: 0.7273
Similarity to MM283984
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8421 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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