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DocumentationIdentifier: MM409077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409077 |
| SMILES |
C=CCC(=C)C(C=C)CF
|
| InChIKey |
CTRROSCVFMTZCD-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
2.89
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 | 0.7019 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8249 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.7996 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.66 |
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Total active interactions
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MM389212
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| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7961 |
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| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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