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DocumentationIdentifier: MM139953
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139953 |
| SMILES |
C#CC(O)(C#N)C(C)F
|
| InChIKey |
BCNUURDKXRAMSY-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76772
Similarity: 0.7709
Similarity to MM76772
| Tanimoto metric | 0.7709 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8707 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76755
Similarity: 0.75
Similarity to MM76755
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229859
Similarity: 0.7459
Similarity to MM229859
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
