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DocumentationIdentifier: MM33361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33361 |
| SMILES |
CCOCCC(=O)O
|
| InChIKey |
JRXXEXVXTFEBIY-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274609
Similarity: 0.8596
Similarity to MM274609
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232152
Similarity: 0.8167
Similarity to MM232152
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25846
Similarity: 0.8163
Similarity to MM25846
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
