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DocumentationIdentifier: MM356173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356173 |
| SMILES |
CCC(=N)N(C)C=CC=O
|
| InChIKey |
UHWRLSJFQTYYQF-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM174177
Similarity: 0.8083
Similarity to MM174177
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163314
Similarity: 0.7417
Similarity to MM163314
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355850
Similarity: 0.7185
Similarity to MM355850
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8362 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
