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DocumentationIdentifier: MM16411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16411 |
| SMILES |
CC(OCC=O)C(=O)O
|
| InChIKey |
YJIIKKUDBBSZPF-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380360
Similarity: 0.7921
Similarity to MM380360
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274585
Similarity: 0.7447
Similarity to MM274585
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8537 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM337191
Similarity: 0.7347
Similarity to MM337191
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8471 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
