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DocumentationIdentifier: MM389669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389669 |
| SMILES |
C=C(C#N)N(CC)C(C)=N
|
| InChIKey |
CZRHPRYQTQUWCQ-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160700
Similarity: 0.875
Similarity to MM160700
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350585
Similarity: 0.68
Similarity to MM350585
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8095 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46239
Similarity: 0.6689
Similarity to MM46239
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8041 |
| Dice metric | 0.8016 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
