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DocumentationIdentifier: MM46201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46201 |
| SMILES |
O=CCC(O)CC=CF
|
| InChIKey |
ITXVBGSNYJXSRB-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33864
Similarity: 0.7467
Similarity to MM33864
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113467
Similarity: 0.7067
Similarity to MM113467
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46391
Similarity: 0.6383
Similarity to MM46391
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7795 |
| Dice metric | 0.7792 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
