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DocumentationIdentifier: MM52513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52513 |
| SMILES |
CC(=O)C(=CN)CC=O
|
| InChIKey |
CVALVLCRWGRHLV-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76076
Similarity: 0.775
Similarity to MM76076
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38879
Similarity: 0.7527
Similarity to MM38879
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8589 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180383
Similarity: 0.7064
Similarity to MM180383
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.828 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
