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DocumentationIdentifier: MM61323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61323 |
| SMILES |
CCOC(C)(CO)CCO
|
| InChIKey |
VSLBKSQLBHXUAU-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139252
Similarity: 0.7909
Similarity to MM139252
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77116
Similarity: 0.7373
Similarity to MM77116
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8488 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312381
Similarity: 0.696
Similarity to MM312381
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8208 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
