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DocumentationIdentifier: MM241956
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241956 |
| SMILES |
C#CCC(C)C(C)(F)CC
|
| InChIKey |
XFKVIVVXYACOMR-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.78
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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MM132064
Similarity: 0.7745
Similarity to MM132064
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172023
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Similarity to MM172023
| Tanimoto metric | 0.7451 |
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| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138316
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Similarity to MM138316
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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