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DocumentationIdentifier: MM253963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253963 |
| SMILES |
C=C(C(C)N)C(O)C(C)N
|
| InChIKey |
QAAPBGIMUCOYLY-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
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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MM160352
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Similarity to MM160352
| Tanimoto metric | 0.7452 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.854 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160765
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| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.837 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348790
Similarity: 0.6885
Similarity to MM348790
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8156 |
| Dice metric | 0.8155 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
