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DocumentationIdentifier: MM97093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97093 |
| SMILES |
CC(C)(C)OC=O
|
| InChIKey |
RUPAXCPQAAOIPB-UHFFFAOYSA-N
|
| MW [Da] |
102.13
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23964
Similarity: 0.7647
Similarity to MM23964
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 88.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102454
Similarity: 0.6538
Similarity to MM102454
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.7907 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103017
Similarity: 0.6071
Similarity to MM103017
| Tanimoto metric | 0.6071 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7556 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
