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DocumentationIdentifier: MM60535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60535 |
| SMILES |
COCCCC(C)(O)CO
|
| InChIKey |
XITOOULHRMZMNW-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
MM138090
Similarity: 0.8118
Similarity to MM138090
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58948
Similarity: 0.7921
Similarity to MM58948
| 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
|
MM261236
Similarity: 0.7071
Similarity to MM261236
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8284 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
