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DocumentationIdentifier: MM276161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276161 |
| SMILES |
CC(CCC(=O)O)OC=O
|
| InChIKey |
NDEIEVQQAIZUCJ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316462
Similarity: 0.7232
Similarity to MM316462
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8394 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254766
Similarity: 0.6475
Similarity to MM254766
| Tanimoto metric | 0.6475 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7861 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299245
Similarity: 0.6289
Similarity to MM299245
| Tanimoto metric | 0.6289 |
|---|---|
| Cosine metric | 0.793 |
| Dice metric | 0.7722 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
