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DocumentationIdentifier: MM390588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390588 |
| SMILES |
C=CC(C)C(=CN)C(C)=O
|
| InChIKey |
FDWSUWDMSBADQA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161043
Similarity: 0.695
Similarity to MM161043
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180436
Similarity: 0.6809
Similarity to MM180436
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8101 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298870
Similarity: 0.649
Similarity to MM298870
| Tanimoto metric | 0.649 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7871 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
