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DocumentationIdentifier: MM232162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232162 |
| SMILES |
CCOCC(C)(C)C(=O)O
|
| InChIKey |
NCRPBEZFYSLGGS-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239134
Similarity: 0.8526
Similarity to MM239134
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283175
Similarity: 0.7168
Similarity to MM283175
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8351 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236004
Similarity: 0.6847
Similarity to MM236004
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8128 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
