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DocumentationIdentifier: MM47600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47600 |
| SMILES |
CC#CC(C=O)NCC=O
|
| InChIKey |
SEIZIWMGBHSHKF-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447752
Similarity: 0.8447
Similarity to MM447752
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9158 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451709
Similarity: 0.7238
Similarity to MM451709
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8398 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91272
Similarity: 0.7094
Similarity to MM91272
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.83 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
