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DocumentationIdentifier: MM243079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243079 |
| SMILES |
C=CCC(O)(CC)CC=O
|
| InChIKey |
QHQUZHWXOVWGPE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40386
Similarity: 0.9149
Similarity to MM40386
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234041
Similarity: 0.7414
Similarity to MM234041
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8515 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243199
Similarity: 0.6744
Similarity to MM243199
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8056 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
