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DocumentationIdentifier: MM451780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451780 |
| SMILES |
C=CCN=CNCCC#N
|
| InChIKey |
ROUVZTHWGPSQOK-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213793
Similarity: 0.8382
Similarity to MM213793
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288452
Similarity: 0.7403
Similarity to MM288452
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8507 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125844
Similarity: 0.7206
Similarity to MM125844
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
