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DocumentationIdentifier: MM93946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93946 |
| SMILES |
CCC(O)C(CCO)OC
|
| InChIKey |
PLKHKDWNPZQDBP-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179607
Similarity: 0.82
Similarity to MM179607
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93947
Similarity: 0.7611
Similarity to MM93947
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8643 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375776
Similarity: 0.7411
Similarity to MM375776
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8513 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
