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DocumentationIdentifier: MM235195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235195 |
| SMILES |
CCOCC(C)(O)C(C)=O
|
| InChIKey |
ZNNPEFNVYYCMOR-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59348
Similarity: 0.7134
Similarity to MM59348
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8327 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233345
Similarity: 0.6802
Similarity to MM233345
| Tanimoto metric | 0.6802 |
|---|---|
| Cosine metric | 0.8103 |
| Dice metric | 0.8097 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58879
Similarity: 0.6324
Similarity to MM58879
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7773 |
| Dice metric | 0.7748 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
