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DocumentationIdentifier: MM377588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377588 |
| SMILES |
COC(=O)C(CC=O)OC
|
| InChIKey |
HXUGLLLPSBHZQQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197231
Similarity: 0.7895
Similarity to MM197231
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50122
Similarity: 0.7444
Similarity to MM50122
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8534 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94401
Similarity: 0.7226
Similarity to MM94401
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.839 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
