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DocumentationIdentifier: MM280557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280557 |
| SMILES |
C#CC=COC(=C)CC#C
|
| InChIKey |
LHKXGJGBGJJMJG-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.69
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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MM157026
Similarity: 0.881
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| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168733
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| Tanimoto metric | 0.8452 |
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| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
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MM280527
Similarity: 0.7957
Similarity to MM280527
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8862 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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