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DocumentationIdentifier: MM237681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237681 |
| SMILES |
CC(C)CC(F)C#CC#N
|
| InChIKey |
UYTPTUXTFKBKNQ-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.9
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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MM158341
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| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135898
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| Tanimoto metric | 0.7865 |
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| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358577
Similarity: 0.7475
Similarity to MM358577
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8555 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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