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DocumentationIdentifier: MM144265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144265 |
| SMILES |
C=C(C)CCC(C)NC
|
| InChIKey |
CFLCMAQEDMVDIZ-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.95
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.34 |
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MM340421
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| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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