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DocumentationIdentifier: MM227804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227804 |
| SMILES |
CCC(C)(C)NCC(C)C
|
| InChIKey |
VMXPXPBFNMQUGF-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.42
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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MM138161
Similarity: 0.8485
Similarity to MM138161
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226083
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| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8819 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM345485
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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