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DocumentationIdentifier: MM400874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400874 |
| SMILES |
CC(=O)CN(C)C(C)C=O
|
| InChIKey |
BHJCVKSBMIKGOI-UHFFFAOYSA-N
|
| MW [Da] |
143.19
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
MM47561
Similarity: 0.6667
Similarity to MM47561
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363878
Similarity: 0.6612
Similarity to MM363878
| Tanimoto metric | 0.6612 |
|---|---|
| Cosine metric | 0.7961 |
| Dice metric | 0.796 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46753
Similarity: 0.6566
Similarity to MM46753
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.8103 |
| Dice metric | 0.7927 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
