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DocumentationIdentifier: MM242983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242983 |
| SMILES |
CCC(O)(COC)COC
|
| InChIKey |
HQWOMPWRABUJKJ-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139234
Similarity: 0.9318
Similarity to MM139234
| Tanimoto metric | 0.9318 |
|---|---|
| Cosine metric | 0.9653 |
| Dice metric | 0.9647 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242973
Similarity: 0.7523
Similarity to MM242973
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8586 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77108
Similarity: 0.7321
Similarity to MM77108
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8454 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
