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DocumentationIdentifier: MM250671
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250671 |
| SMILES |
CC(=O)OCC(O)CCO
|
| InChIKey |
AGCGTPWBMIBOEO-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316733
Similarity: 0.7414
Similarity to MM316733
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8515 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250670
Similarity: 0.7368
Similarity to MM250670
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8485 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254613
Similarity: 0.7119
Similarity to MM254613
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8317 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+360 more
