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DocumentationIdentifier: MM320554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320554 |
| SMILES |
C=C(C)C(O)C(=C)C#CC
|
| InChIKey |
RXLCZHFMAQTTBZ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.5
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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MM174689
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| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8747 |
| Dice metric | 0.867 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358948
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8434 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350929
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| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8354 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+171 more
