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DocumentationIdentifier: MM61496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61496 |
| SMILES |
C=CC(O)(CC=O)CC=O
|
| InChIKey |
ZRNMGGLPAQRTPR-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139402
Similarity: 0.9388
Similarity to MM139402
| Tanimoto metric | 0.9388 |
|---|---|
| Cosine metric | 0.9689 |
| Dice metric | 0.9684 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243145
Similarity: 0.7244
Similarity to MM243145
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8402 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28564
Similarity: 0.7143
Similarity to MM28564
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
