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DocumentationIdentifier: MM34473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34473 |
| SMILES |
CC(=O)C(C)OC=O
|
| InChIKey |
XAQLIINYMRFEFW-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172576
Similarity: 0.7396
Similarity to MM172576
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172575
Similarity: 0.7396
Similarity to MM172575
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15750
Similarity: 0.7089
Similarity to MM15750
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8296 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
