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DocumentationIdentifier: MM262560
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262560 |
| SMILES |
C=C(CC(C)CO)OC=O
|
| InChIKey |
JMCLTZLIAFUJHB-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262836
Similarity: 0.6777
Similarity to MM262836
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8079 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107392
Similarity: 0.6139
Similarity to MM107392
| Tanimoto metric | 0.6139 |
|---|---|
| Cosine metric | 0.7835 |
| Dice metric | 0.7607 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262839
Similarity: 0.6094
Similarity to MM262839
| Tanimoto metric | 0.6094 |
|---|---|
| Cosine metric | 0.7574 |
| Dice metric | 0.7573 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
