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DocumentationIdentifier: MM46525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46525 |
| SMILES |
C#CC(C=C)NCCC#N
|
| InChIKey |
VTBHXXUHCSTUTR-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199339
Similarity: 0.8105
Similarity to MM199339
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404443
Similarity: 0.7333
Similarity to MM404443
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8462 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404483
Similarity: 0.7333
Similarity to MM404483
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8462 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
