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DocumentationIdentifier: MM220933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220933 |
| SMILES |
CC(=O)OCCC(C)(C)O
|
| InChIKey |
BPPVFJVSDUZRPX-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
MM131537
Similarity: 0.7204
Similarity to MM131537
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258195
Similarity: 0.6981
Similarity to MM258195
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8222 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257858
Similarity: 0.6852
Similarity to MM257858
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8132 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
