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DocumentationIdentifier: MM335430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335430 |
| SMILES |
C=CC(C=C(F)CC)CC
|
| InChIKey |
AWRVFOCCANBGDB-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.46
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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MM150644
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| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267428
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| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8615 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143266
Similarity: 0.7379
Similarity to MM143266
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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