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DocumentationIdentifier: MM156250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156250 |
| SMILES |
O=COCC(=O)CCO
|
| InChIKey |
KXMVOSLBMCACQX-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113184
Similarity: 0.8219
Similarity to MM113184
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107312
Similarity: 0.7534
Similarity to MM107312
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45840
Similarity: 0.6962
Similarity to MM45840
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8209 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
