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DocumentationIdentifier: MM178664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178664 |
| SMILES |
CC=C(C=CF)CCN
|
| InChIKey |
FWWOZAJTFZWSIK-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
1.76
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 | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9041 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.93 |
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Total active interactions
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MM377064
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| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
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| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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