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DocumentationIdentifier: MM361164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361164 |
| SMILES |
CC(=CC=CF)C(C)C=O
|
| InChIKey |
FCOXNLAOHUIRPK-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175324
Similarity: 0.8137
Similarity to MM175324
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361162
Similarity: 0.7434
Similarity to MM361162
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8528 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421103
Similarity: 0.7281
Similarity to MM421103
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8426 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
