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DocumentationIdentifier: MM133457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133457 |
| SMILES |
CC(O)CC(C)C(C)N
|
| InChIKey |
KPEVULPMUHXMEX-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.74
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 | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.13 |
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Total active interactions
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MM274910
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Similarity to MM274910
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|---|---|
| Cosine metric | 0.8954 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+467 more
