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DocumentationIdentifier: MM311864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311864 |
| SMILES |
CCC(F)(C#CCF)C=O
|
| InChIKey |
KAHFLXMWPHVVOT-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235598
Similarity: 0.7308
Similarity to MM235598
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8444 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243450
Similarity: 0.6566
Similarity to MM243450
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7946 |
| Dice metric | 0.7927 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243460
Similarity: 0.6467
Similarity to MM243460
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7855 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
