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DocumentationIdentifier: MM15682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15682 |
| SMILES |
N#CC(C=O)CC(F)CF
|
| InChIKey |
FLLCYEBCZCOFAN-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15684
Similarity: 0.7788
Similarity to MM15684
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79835
Similarity: 0.6767
Similarity to MM79835
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8072 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141664
Similarity: 0.6726
Similarity to MM141664
| Tanimoto metric | 0.6726 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8042 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
