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DocumentationIdentifier: MM262826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262826 |
| SMILES |
C=CNC(=O)CC(O)C=C
|
| InChIKey |
QCUCGVIZFQACFH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42957
Similarity: 0.808
Similarity to MM42957
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64906
Similarity: 0.6918
Similarity to MM64906
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8178 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262828
Similarity: 0.6803
Similarity to MM262828
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8097 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
