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DocumentationIdentifier: MM88567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88567 |
| SMILES |
CC=CC(C)(CN)NC=N
|
| InChIKey |
QSNGDAAABGZUKA-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312625
Similarity: 0.6835
Similarity to MM312625
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.812 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79905
Similarity: 0.6549
Similarity to MM79905
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7915 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132480
Similarity: 0.6504
Similarity to MM132480
| Tanimoto metric | 0.6504 |
|---|---|
| Cosine metric | 0.8065 |
| Dice metric | 0.7882 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
