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DocumentationIdentifier: MM282849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282849 |
| SMILES |
C=C(C#CCCN)NC=N
|
| InChIKey |
BUIVSMKVIYZQLZ-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158558
Similarity: 0.8936
Similarity to MM158558
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282896
Similarity: 0.8252
Similarity to MM282896
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9043 |
| Dice metric | 0.9043 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282918
Similarity: 0.8095
Similarity to MM282918
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8948 |
| Dice metric | 0.8947 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
