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DocumentationIdentifier: MM78536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78536 |
| SMILES |
CNC(C)CO
|
| InChIKey |
PXWASTUQOKUFKY-UHFFFAOYSA-N
|
| MW [Da] |
89.14
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58754
Similarity: 0.8235
Similarity to MM58754
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 105.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80640
Similarity: 0.7778
Similarity to MM80640
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59529
Similarity: 0.7368
Similarity to MM59529
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
