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DocumentationIdentifier: MM84448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84448 |
| SMILES |
CCC(O)C(C)OCCO
|
| InChIKey |
SMKXSHZYUPUPQF-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
MM171887
Similarity: 0.8542
Similarity to MM171887
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362301
Similarity: 0.6949
Similarity to MM362301
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.82 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62930
Similarity: 0.6949
Similarity to MM62930
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.82 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
