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DocumentationIdentifier: MM108099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108099 |
| SMILES |
C=CCC(C)C(C)F
|
| InChIKey |
QFVRJBCQYUSXBR-UHFFFAOYSA-N
|
| MW [Da] |
116.18
Automatically obtained from RDkit software. |
| LogP |
2.56
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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MM132036
Similarity: 0.7436
Similarity to MM132036
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162792
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Similarity to MM162792
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM115950
Similarity: 0.7097
Similarity to MM115950
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8302 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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