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DocumentationIdentifier: MM39993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39993 |
| SMILES |
CC(C)(C)OC(=O)CO
|
| InChIKey |
WINGEFIITRDOLJ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33017
Similarity: 0.8169
Similarity to MM33017
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102454
Similarity: 0.7324
Similarity to MM102454
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227045
Similarity: 0.6827
Similarity to MM227045
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8114 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
