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DocumentationIdentifier: MM221738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221738 |
| SMILES |
CC(O)CC(C)(C)OC=O
|
| InChIKey |
ORRAVXSWYWJWDD-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132387
Similarity: 0.717
Similarity to MM132387
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261433
Similarity: 0.6667
Similarity to MM261433
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233957
Similarity: 0.6063
Similarity to MM233957
| Tanimoto metric | 0.6063 |
|---|---|
| Cosine metric | 0.7555 |
| Dice metric | 0.7549 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
