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DocumentationIdentifier: MM193014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM193014 |
| SMILES |
CC(N)C=CC1NC1C
|
| InChIKey |
CRHPQYOKEHCXIM-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124908
Similarity: 0.8571
Similarity to MM124908
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195680
Similarity: 0.8257
Similarity to MM195680
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9059 |
| Dice metric | 0.9045 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209300
Similarity: 0.8241
Similarity to MM209300
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9036 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
