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DocumentationIdentifier: MM172323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172323 |
| SMILES |
CC(CCO)C(=O)CO
|
| InChIKey |
FTCOWPPLQILEAL-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111692
Similarity: 0.8158
Similarity to MM111692
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108152
Similarity: 0.7632
Similarity to MM108152
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50106
Similarity: 0.6458
Similarity to MM50106
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7848 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
