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DocumentationIdentifier: MM246942
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246942 |
| SMILES |
C=C(C=O)CC(=C)C(=C)C
|
| InChIKey |
CGDIYTOFJWLHBG-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
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 | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1.28 |
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| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
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| MW: | 124.18 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.1 |
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| AI: | 0
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+248 more
