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DocumentationIdentifier: MM325758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325758 |
| SMILES |
COC(C)CC(CO)CO
|
| InChIKey |
FFERQOTVLFAWEE-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141578
Similarity: 0.8861
Similarity to MM141578
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9413 |
| Dice metric | 0.9396 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149670
Similarity: 0.7342
Similarity to MM149670
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226053
Similarity: 0.7071
Similarity to MM226053
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8284 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+605 more
