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DocumentationIdentifier: MM235082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235082 |
| SMILES |
CC(O)C(C)(C)COC=O
|
| InChIKey |
AGMUNSXSHBYVNB-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47834
Similarity: 0.7959
Similarity to MM47834
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392403
Similarity: 0.6783
Similarity to MM392403
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8083 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362180
Similarity: 0.6446
Similarity to MM362180
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.784 |
| Dice metric | 0.7839 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
