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DocumentationIdentifier: MM410774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410774 |
| SMILES |
C=C(CC=O)C(C=O)C=O
|
| InChIKey |
FYBBXNXXPDPAKX-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298503
Similarity: 0.8636
Similarity to MM298503
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9268 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173389
Similarity: 0.8537
Similarity to MM173389
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410157
Similarity: 0.6792
Similarity to MM410157
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.809 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
