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DocumentationIdentifier: MM376310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376310 |
| SMILES |
CC=CC#CCC(F)C=O
|
| InChIKey |
QLBWULZAALCASB-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.49
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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| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.31 |
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MM113785
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| Tanimoto metric | 0.6667 |
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| Cosine metric | 0.8165 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.94 |
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+300 more
