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DocumentationIdentifier: MM135977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135977 |
| SMILES |
CC(=CCF)CN(C)C
|
| InChIKey |
MKUUSDWUSGOCLA-UHFFFAOYSA-N
|
| MW [Da] |
131.19
Automatically obtained from RDkit software. |
| LogP |
1.46
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 | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8869 |
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| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265454
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|---|---|
| Cosine metric | 0.8793 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+800 more
