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DocumentationIdentifier: MM236004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236004 |
| SMILES |
C=CCOCC(C)C(=O)O
|
| InChIKey |
ADJOIGFWOSCVPV-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235997
Similarity: 0.7155
Similarity to MM235997
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8342 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242588
Similarity: 0.6957
Similarity to MM242588
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232162
Similarity: 0.6847
Similarity to MM232162
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8128 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
