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DocumentationIdentifier: MM139961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139961 |
| SMILES |
C#CC(N)(C#C)C(F)F
|
| InChIKey |
GNVCKFCQWDAIIO-UHFFFAOYSA-N
|
| MW [Da] |
129.11
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229867
Similarity: 0.8173
Similarity to MM229867
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 147.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244256
Similarity: 0.7143
Similarity to MM244256
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131048
Similarity: 0.6923
Similarity to MM131048
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8182 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
