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DocumentationIdentifier: MM412425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412425 |
| SMILES |
CCC(=NCCC#N)NC
|
| InChIKey |
QBOWBZNWEQKTGR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199796
Similarity: 0.83
Similarity to MM199796
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390131
Similarity: 0.7931
Similarity to MM390131
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8846 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410712
Similarity: 0.7345
Similarity to MM410712
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8469 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
