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DocumentationIdentifier: MM89451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89451 |
| SMILES |
CN=C(N)C(C)(C)C=O
|
| InChIKey |
IJWLJNNERYYIKR-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89603
Similarity: 0.7708
Similarity to MM89603
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96182
Similarity: 0.6667
Similarity to MM96182
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61969
Similarity: 0.6575
Similarity to MM61969
| Tanimoto metric | 0.6575 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.7934 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
