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DocumentationIdentifier: MM426049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426049 |
| SMILES |
CCC1(CCNC=N)CC1
|
| InChIKey |
XPPLKANZSFCWHP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
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 | 0.9011 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.948 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.79 |
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MM325138
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Similarity to MM325138
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8553 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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