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DocumentationIdentifier: MM94317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94317 |
| SMILES |
CNCCCC(F)C(C)=O
|
| InChIKey |
XCVBOVAUCJDDOL-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73975
Similarity: 0.7008
Similarity to MM73975
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8241 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364412
Similarity: 0.6106
Similarity to MM364412
| Tanimoto metric | 0.6106 |
|---|---|
| Cosine metric | 0.7629 |
| Dice metric | 0.7582 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108182
Similarity: 0.5842
Similarity to MM108182
| Tanimoto metric | 0.5842 |
|---|---|
| Cosine metric | 0.7643 |
| Dice metric | 0.7375 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
