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DocumentationIdentifier: MM383272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383272 |
| SMILES |
C=CC=C(CN)N(C)C=N
|
| InChIKey |
KBKGBKVIIOMIOG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175359
Similarity: 0.7087
Similarity to MM175359
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92419
Similarity: 0.6623
Similarity to MM92419
| Tanimoto metric | 0.6623 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7969 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383369
Similarity: 0.6456
Similarity to MM383369
| Tanimoto metric | 0.6456 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7846 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
