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DocumentationIdentifier: MM235057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235057 |
| SMILES |
CC(O)C(C)(O)CCC=O
|
| InChIKey |
KXTDHGFJGLUNBU-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77126
Similarity: 0.7967
Similarity to MM77126
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8869 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132564
Similarity: 0.7373
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| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241884
Similarity: 0.7059
Similarity to MM241884
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8276 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
