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DocumentationIdentifier: MM57817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57817 |
| SMILES |
CN(C=O)CC(C)(C)CO
|
| InChIKey |
XQBALRIWKGMRRN-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326279
Similarity: 0.7551
Similarity to MM326279
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8605 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138221
Similarity: 0.7444
Similarity to MM138221
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8535 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261584
Similarity: 0.6852
Similarity to MM261584
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8132 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
