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DocumentationIdentifier: MM58948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58948 |
| SMILES |
COCC(C)(O)CCCO
|
| InChIKey |
YYFJEYWCRHTCQE-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
MM60535
Similarity: 0.7921
Similarity to MM60535
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.884 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138090
Similarity: 0.7188
Similarity to MM138090
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58971
Similarity: 0.6694
Similarity to MM58971
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.802 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
