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DocumentationIdentifier: MM309926
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309926 |
| SMILES |
CN=CNC(C)(CO)CO
|
| InChIKey |
QJTMHMLBGDRSEM-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139293
Similarity: 0.8276
Similarity to MM139293
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312443
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Similarity to MM312443
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.8834 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM80514
Similarity: 0.7526
Similarity to MM80514
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8588 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
