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DocumentationIdentifier: MM381789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381789 |
| SMILES |
C=C(CC)C(=CF)CC=O
|
| InChIKey |
UUWZHPZHEOMRGL-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180432
Similarity: 0.8426
Similarity to MM180432
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9146 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382553
Similarity: 0.8017
Similarity to MM382553
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8899 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307895
Similarity: 0.7023
Similarity to MM307895
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8251 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
