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DocumentationIdentifier: MM238360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238360 |
| SMILES |
CC(=CC(C)C)CNC=N
|
| InChIKey |
CRPIXCSSCXRVQK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360297
Similarity: 0.7653
Similarity to MM360297
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8671 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360299
Similarity: 0.7075
Similarity to MM360299
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8287 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360301
Similarity: 0.7009
Similarity to MM360301
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8242 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
