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DocumentationIdentifier: MM25967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25967 |
| SMILES |
C=C(C)C(=O)C=CN(C)C
|
| InChIKey |
NPLKTXWHYPSUKJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163425
Similarity: 0.8505
Similarity to MM163425
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9192 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293354
Similarity: 0.7339
Similarity to MM293354
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8465 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293404
Similarity: 0.728
Similarity to MM293404
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8426 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
