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DocumentationIdentifier: MM167376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167376 |
| SMILES |
CC=CCCC(=O)CC
|
| InChIKey |
STICKWIUXCNKRE-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368817
Similarity: 0.9677
Similarity to MM368817
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278813
Similarity: 0.8955
Similarity to MM278813
| Tanimoto metric | 0.8955 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9449 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369290
Similarity: 0.8333
Similarity to MM369290
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+515 more
