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DocumentationIdentifier: MM157340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157340 |
| SMILES |
NC=CC(=O)OCC=O
|
| InChIKey |
UFHOSZLDKNMGQI-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
2-oxoethyl Prop-2-enoate
Similarity: 0.7468
Similarity to 2-oxoethyl Prop-2-enoate
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157282
Similarity: 0.6632
Similarity to MM157282
| Tanimoto metric | 0.6632 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7975 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157281
Similarity: 0.6563
Similarity to MM157281
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7925 |
| Dice metric | 0.7925 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
