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DocumentationIdentifier: MM172290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172290 |
| SMILES |
C#CC(F)C(C)NC=O
|
| InChIKey |
JFCKQVCUQJDNRR-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376411
Similarity: 0.7698
Similarity to MM376411
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94279
Similarity: 0.6993
Similarity to MM94279
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8231 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376410
Similarity: 0.6859
Similarity to MM376410
| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
