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DocumentationIdentifier: MM89603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89603 |
| SMILES |
CN=C(N)C(C)C=O
|
| InChIKey |
WGZSAHXSCIFYPX-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96182
Similarity: 0.7872
Similarity to MM96182
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89451
Similarity: 0.7708
Similarity to MM89451
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410246
Similarity: 0.7048
Similarity to MM410246
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8268 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
