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DocumentationIdentifier: MM197179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197179 |
| SMILES |
C#CC(C#C)C(F)C=O
|
| InChIKey |
RTTOFBYQBWHVNT-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111669
Similarity: 0.859
Similarity to MM111669
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380204
Similarity: 0.7091
Similarity to MM380204
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8298 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116984
Similarity: 0.6795
Similarity to MM116984
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8092 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
