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DocumentationIdentifier: MM223640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223640 |
| SMILES |
CC(CO)C(N)C(C)(C)O
|
| InChIKey |
DYZIIBYAVCFDDF-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.29
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 | 0.7273 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8421 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8317 |
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| MW: | 131.22 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.74 |
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| AI: | 0
Total active interactions
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MM241795
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Similarity to MM241795
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8006 |
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| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
