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DocumentationIdentifier: MM223766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223766 |
| SMILES |
CCC(=O)C(C)C(C)(C)O
|
| InChIKey |
FZISCUNFSMYDMQ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160340
Similarity: 0.7424
Similarity to MM160340
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225576
Similarity: 0.6943
Similarity to MM225576
| Tanimoto metric | 0.6943 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232000
Similarity: 0.6735
Similarity to MM232000
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.8049 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
