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DocumentationIdentifier: MM180193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180193 |
| SMILES |
C=C(C)C(C=O)C=CF
|
| InChIKey |
CTKUJJOZPSVXAP-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275863
Similarity: 0.7965
Similarity to MM275863
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197652
Similarity: 0.7692
Similarity to MM197652
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8696 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379947
Similarity: 0.7627
Similarity to MM379947
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
