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DocumentationIdentifier: MM138329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138329 |
| SMILES |
C=CC(C)(C)CCCF
|
| InChIKey |
AUVYPOQYHWSTIZ-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
2.95
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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MM309230
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227849
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| Tanimoto metric | 0.8219 |
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| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226310
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Similarity to MM226310
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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