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DocumentationIdentifier: MM262839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262839 |
| SMILES |
C=C(CC(C)C=O)OC=O
|
| InChIKey |
PJNKBEUBAGBZQB-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46073
Similarity: 0.7429
Similarity to MM46073
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262836
Similarity: 0.6172
Similarity to MM262836
| Tanimoto metric | 0.6172 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7633 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262560
Similarity: 0.6094
Similarity to MM262560
| Tanimoto metric | 0.6094 |
|---|---|
| Cosine metric | 0.7574 |
| Dice metric | 0.7573 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
