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DocumentationIdentifier: MM91002
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91002 |
| SMILES |
CCCOCCC(O)CO
|
| InChIKey |
VSWVJVNTOYZZNE-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
MM165527
Similarity: 0.9833
Similarity to MM165527
| Tanimoto metric | 0.9833 |
|---|---|
| Cosine metric | 0.9916 |
| Dice metric | 0.9916 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363488
Similarity: 0.7867
Similarity to MM363488
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8806 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363277
Similarity: 0.7867
Similarity to MM363277
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8806 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+604 more
