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DocumentationIdentifier: MM232053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232053 |
| SMILES |
C=COC(C#N)C(F)(F)F
|
| InChIKey |
HCQVQYABDAYMEC-UHFFFAOYSA-N
|
| MW [Da] |
151.09
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179756
Similarity: 0.8288
Similarity to MM179756
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393876
Similarity: 0.7023
Similarity to MM393876
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8251 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232025
Similarity: 0.6692
Similarity to MM232025
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.8018 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
