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DocumentationIdentifier: MM229859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229859 |
| SMILES |
C#CC(O)(C#N)C(C)(C)F
|
| InChIKey |
VFKYUOCJWARHJN-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139953
Similarity: 0.7459
Similarity to MM139953
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131033
Similarity: 0.6541
Similarity to MM131033
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.7908 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76772
Similarity: 0.6323
Similarity to MM76772
| Tanimoto metric | 0.6323 |
|---|---|
| Cosine metric | 0.7748 |
| Dice metric | 0.7747 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
