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DocumentationIdentifier: MM94800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94800 |
| SMILES |
C=CCN(C=O)C(=C)C=O
|
| InChIKey |
UDICMAFEFXYMTF-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94801
Similarity: 0.7447
Similarity to MM94801
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8537 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350879
Similarity: 0.7024
Similarity to MM350879
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8252 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160702
Similarity: 0.6316
Similarity to MM160702
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7758 |
| Dice metric | 0.7742 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
