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DocumentationIdentifier: MM221514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221514 |
| SMILES |
CC(=O)CC(O)C(C)(C)O
|
| InChIKey |
BWFQHNYIFKCYIN-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132033
Similarity: 0.704
Similarity to MM132033
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133561
Similarity: 0.696
Similarity to MM133561
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268463
Similarity: 0.6471
Similarity to MM268463
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.7857 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
