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DocumentationIdentifier: MM251733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251733 |
| SMILES |
CC#CC(=O)NCC(F)F
|
| InChIKey |
BWNMMHBQSXLHNO-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46528
Similarity: 0.8367
Similarity to MM46528
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83969
Similarity: 0.7009
Similarity to MM83969
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264783
Similarity: 0.6406
Similarity to MM264783
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.781 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
