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DocumentationIdentifier: MM255889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255889 |
| SMILES |
CC(F)=CCC(O)C(C)N
|
| InChIKey |
MEAMWIVIFJONPP-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162802
Similarity: 0.7087
Similarity to MM162802
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162801
Similarity: 0.6929
Similarity to MM162801
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146286
Similarity: 0.6457
Similarity to MM146286
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.7847 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
