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DocumentationIdentifier: MM349743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349743 |
| SMILES |
C=CCCC(C)C(=O)C=C
|
| InChIKey |
UJFSPZPLRSTSTB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172689
Similarity: 0.9091
Similarity to MM172689
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349605
Similarity: 0.7843
Similarity to MM349605
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8791 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349221
Similarity: 0.7593
Similarity to MM349221
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8632 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
