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DocumentationIdentifier: MM386122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386122 |
| SMILES |
C=COC=C(C#N)CCC
|
| InChIKey |
QGUFSDDTAQABPV-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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MM201771
Similarity: 0.7857
Similarity to MM201771
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382185
Similarity: 0.7477
Similarity to MM382185
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8557 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404744
Similarity: 0.7264
Similarity to MM404744
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8415 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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