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DocumentationIdentifier: MM275191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275191 |
| SMILES |
COC(CC(C)O)C(N)=O
|
| InChIKey |
ZRCSFBXZNGZVAK-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52225
Similarity: 0.7551
Similarity to MM52225
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179823
Similarity: 0.7415
Similarity to MM179823
| Tanimoto metric | 0.7415 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245194
Similarity: 0.6538
Similarity to MM245194
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7907 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
