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DocumentationIdentifier: MM68474
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68474 |
| SMILES |
CC(C)(C)C(N)CO
|
| InChIKey |
JBULSURVMXPBNA-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78515
Similarity: 0.7736
Similarity to MM78515
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82129
Similarity: 0.6974
Similarity to MM82129
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8217 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137438
Similarity: 0.6795
Similarity to MM137438
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8092 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
