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DocumentationIdentifier: MM91272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91272 |
| SMILES |
CC#CC(C=O)NCC#N
|
| InChIKey |
MYAGUHKZPIHJLJ-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
MM91109
Similarity: 0.7905
Similarity to MM91109
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447752
Similarity: 0.7094
Similarity to MM447752
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.83 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47600
Similarity: 0.7094
Similarity to MM47600
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.83 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
