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DocumentationIdentifier: MM352458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352458 |
| SMILES |
C#CCCC(=C)C(=C)C=C
|
| InChIKey |
ZWFWTYPTMXZFSP-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
2.7
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 | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7419 |
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| Cosine metric | 0.8529 |
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| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.92 |
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MM173791
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| Tanimoto metric | 0.7059 |
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| Cosine metric | 0.8402 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.08 |
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+200 more
