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DocumentationIdentifier: MM68681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68681 |
| SMILES |
CN=C(CC#N)N(C)C
|
| InChIKey |
XBSDFECLBSGDBY-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61289
Similarity: 0.7881
Similarity to MM61289
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65573
Similarity: 0.7849
Similarity to MM65573
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92503
Similarity: 0.6989
Similarity to MM92503
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
