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DocumentationIdentifier: MM62878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62878 |
| SMILES |
CNCCC(=O)C#CC=O
|
| InChIKey |
UTMHQQKDJLVALT-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
MM68072
Similarity: 0.8681
Similarity to MM68072
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68073
Similarity: 0.8182
Similarity to MM68073
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.9 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279577
Similarity: 0.767
Similarity to MM279577
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8681 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
