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DocumentationIdentifier: MM365472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365472 |
| SMILES |
CC(C)C(O)CCCC=O
|
| InChIKey |
XEMBEYZBFQCVOA-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365178
Similarity: 0.7714
Similarity to MM365178
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439534
Similarity: 0.7571
Similarity to MM439534
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8618 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365320
Similarity: 0.75
Similarity to MM365320
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8571 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
