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DocumentationIdentifier: MM23810
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23810 |
| SMILES |
CCN(C=O)CC#CC=O
|
| InChIKey |
DHYODQBLRIATJC-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73742
Similarity: 0.8081
Similarity to MM73742
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8939 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23704
Similarity: 0.7857
Similarity to MM23704
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388511
Similarity: 0.7556
Similarity to MM388511
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8608 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
