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DocumentationIdentifier: MM258106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258106 |
| SMILES |
CNC(=N)COCC(C)C
|
| InChIKey |
JNZZDHXXAZPIPZ-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364644
Similarity: 0.7857
Similarity to MM364644
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.88 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364642
Similarity: 0.7778
Similarity to MM364642
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365138
Similarity: 0.7476
Similarity to MM365138
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
