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DocumentationIdentifier: MM229855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229855 |
| SMILES |
C#CC(C)(C#N)C(C)(F)F
|
| InChIKey |
PFDYQHSKLMSRGD-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131404
Similarity: 0.7429
Similarity to MM131404
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139950
Similarity: 0.7286
Similarity to MM139950
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131028
Similarity: 0.6214
Similarity to MM131028
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7665 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
