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DocumentationIdentifier: MM47248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47248 |
| SMILES |
C#CCNC(C=O)C=O
|
| InChIKey |
QCNKMJMHSNOZDM-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98555
Similarity: 0.7895
Similarity to MM98555
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44714
Similarity: 0.7143
Similarity to MM44714
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54404
Similarity: 0.6667
Similarity to MM54404
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.8 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
