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DocumentationIdentifier: MM108452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108452 |
| SMILES |
C=C(C)C(=C)CCF
|
| InChIKey |
LZHKIQJGWFNZJP-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.48
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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MM293817
Similarity: 0.8382
Similarity to MM293817
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173794
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| Tanimoto metric | 0.7703 |
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| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133960
Similarity: 0.7215
Similarity to MM133960
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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