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DocumentationIdentifier: MM254753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254753 |
| SMILES |
COCC(O)CCC(=O)O
|
| InChIKey |
FAFMYMDPFIDXOA-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254766
Similarity: 0.7155
Similarity to MM254766
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8342 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295657
Similarity: 0.6991
Similarity to MM295657
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8229 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83094
Similarity: 0.6542
Similarity to MM83094
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.791 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
