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DocumentationIdentifier: MM138196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138196 |
| SMILES |
C=CCCC(C)(C)CF
|
| InChIKey |
HMABMIQFAURSCV-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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| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227921
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| Tanimoto metric | 0.7375 |
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| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.34 |
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Total active interactions
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MM227935
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| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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