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DocumentationIdentifier: MM262252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262252 |
| SMILES |
C=CC(=O)CC(O)CC=O
|
| InChIKey |
DBOGXHGNHAATGB-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
MM264285
Similarity: 0.7213
Similarity to MM264285
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8381 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264286
Similarity: 0.7063
Similarity to MM264286
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8279 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264287
Similarity: 0.6929
Similarity to MM264287
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8206 |
| Dice metric | 0.8186 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
