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DocumentationIdentifier: MM207603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM207603 |
| SMILES |
CC(O)C(C)CCC(=O)O
|
| InChIKey |
SBBKRBOBPXADPI-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM207346
Similarity: 0.7961
Similarity to MM207346
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8865 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM207581
Similarity: 0.7368
Similarity to MM207581
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8485 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373712
Similarity: 0.72
Similarity to MM373712
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
