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DocumentationIdentifier: MM197044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197044 |
| SMILES |
C#CC(CF)C(F)CC
|
| InChIKey |
HWQRRBYQSVPXMJ-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406944
Similarity: 0.8515
Similarity to MM406944
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83652
Similarity: 0.7544
Similarity to MM83652
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172252
Similarity: 0.7368
Similarity to MM172252
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8485 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
