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DocumentationIdentifier: MM60679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60679 |
| SMILES |
C=CC(C#N)N(C)C=N
|
| InChIKey |
ABZZNGZWOSLPRV-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60498
Similarity: 0.7083
Similarity to MM60498
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69686
Similarity: 0.6563
Similarity to MM69686
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.7925 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298169
Similarity: 0.6531
Similarity to MM298169
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.7901 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
