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DocumentationIdentifier: MM433052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433052 |
| SMILES |
C=C(F)CN(C)C(C)C=O
|
| InChIKey |
NQYBDXHFMSAXOK-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51936
Similarity: 0.7034
Similarity to MM51936
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8259 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368223
Similarity: 0.5874
Similarity to MM368223
| Tanimoto metric | 0.5874 |
|---|---|
| Cosine metric | 0.7407 |
| Dice metric | 0.7401 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452461
Similarity: 0.5755
Similarity to MM452461
| Tanimoto metric | 0.5755 |
|---|---|
| Cosine metric | 0.7328 |
| Dice metric | 0.7306 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
