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DocumentationIdentifier: MM50363
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50363 |
| SMILES |
N#CC=CC(C#N)NC=N
|
| InChIKey |
DHEZWMBWGZHBAA-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60382
Similarity: 0.8411
Similarity to MM60382
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60302
Similarity: 0.7398
Similarity to MM60302
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8505 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60473
Similarity: 0.7317
Similarity to MM60473
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8451 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
