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DocumentationIdentifier: MM102763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102763 |
| SMILES |
CC(C)(C)COC=O
|
| InChIKey |
DGMIPKNXUDSQGI-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97331
Similarity: 0.8095
Similarity to MM97331
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138253
Similarity: 0.7241
Similarity to MM138253
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130425
Similarity: 0.6774
Similarity to MM130425
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
