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DocumentationIdentifier: MM91308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91308 |
| SMILES |
C=CC(=O)COCCOC
|
| InChIKey |
JKYJINMJUOCKGD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166853
Similarity: 0.8987
Similarity to MM166853
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44964
Similarity: 0.7342
Similarity to MM44964
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279254
Similarity: 0.732
Similarity to MM279254
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8452 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
