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DocumentationIdentifier: MM233395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233395 |
| SMILES |
CN=C(N)C(C)(C)CC=O
|
| InChIKey |
PAKDQFHANZLCOD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378270
Similarity: 0.6101
Similarity to MM378270
| Tanimoto metric | 0.6101 |
|---|---|
| Cosine metric | 0.7586 |
| Dice metric | 0.7578 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414701
Similarity: 0.5963
Similarity to MM414701
| Tanimoto metric | 0.5963 |
|---|---|
| Cosine metric | 0.748 |
| Dice metric | 0.7471 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243901
Similarity: 0.5878
Similarity to MM243901
| Tanimoto metric | 0.5878 |
|---|---|
| Cosine metric | 0.741 |
| Dice metric | 0.7404 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
