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DocumentationIdentifier: MM47847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47847 |
| SMILES |
CC(CCCO)C(=O)O
|
| InChIKey |
YUCINKYUVOIMER-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108159
Similarity: 0.8378
Similarity to MM108159
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253996
Similarity: 0.8049
Similarity to MM253996
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8919 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244126
Similarity: 0.7556
Similarity to MM244126
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8608 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
