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DocumentationIdentifier: MM82423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82423 |
| SMILES |
CCC=CC(=N)NCC#N
|
| InChIKey |
QLDNHGXLXDGJQA-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83000
Similarity: 0.8163
Similarity to MM83000
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157940
Similarity: 0.7959
Similarity to MM157940
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79857
Similarity: 0.7193
Similarity to MM79857
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8367 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
