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DocumentationIdentifier: MM454128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454128 |
| SMILES |
C#CC(C=O)NCCC#N
|
| InChIKey |
HNWXICCRMCHKMW-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404340
Similarity: 0.6471
Similarity to MM404340
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7857 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44899
Similarity: 0.6311
Similarity to MM44899
| Tanimoto metric | 0.6311 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7738 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91109
Similarity: 0.5982
Similarity to MM91109
| Tanimoto metric | 0.5982 |
|---|---|
| Cosine metric | 0.7506 |
| Dice metric | 0.7486 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
