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DocumentationIdentifier: MM158614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158614 |
| SMILES |
C#CCC(=O)C#CCF
|
| InChIKey |
WTGAXICTZIBSFK-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
0.55
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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MM252858
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| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114571
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| Cosine metric | 0.9066 |
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| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
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| AI: | 0
Total active interactions
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MM281354
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| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.8933 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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