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DocumentationIdentifier: MM295544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295544 |
| SMILES |
CCC=CC=C(C)C(C)=O
|
| InChIKey |
FMGFAGWXTOBYNB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163995
Similarity: 0.9425
Similarity to MM163995
| Tanimoto metric | 0.9425 |
|---|---|
| Cosine metric | 0.9708 |
| Dice metric | 0.9704 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295615
Similarity: 0.9231
Similarity to MM295615
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.96 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295613
Similarity: 0.8454
Similarity to MM295613
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9166 |
| Dice metric | 0.9162 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+608 more
