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DocumentationIdentifier: MM414050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414050 |
| SMILES |
CNCC(C)C(=CF)CO
|
| InChIKey |
QNARQCDRHWRQEP-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77139
Similarity: 0.7669
Similarity to MM77139
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8681 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91523
Similarity: 0.6992
Similarity to MM91523
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.823 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87766
Similarity: 0.6992
Similarity to MM87766
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.823 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
