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DocumentationIdentifier: MM53787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53787 |
| SMILES |
CC(=O)C(C)(C)N=CN
|
| InChIKey |
FAZFHNGCACPVSV-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61828
Similarity: 0.7184
Similarity to MM61828
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233408
Similarity: 0.7153
Similarity to MM233408
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52194
Similarity: 0.6913
Similarity to MM52194
| Tanimoto metric | 0.6913 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8175 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
