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DocumentationIdentifier: MM392578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392578 |
| SMILES |
CC(F)C(C#N)NCCF
|
| InChIKey |
KMSIUCHOWOBOJX-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289242
Similarity: 0.726
Similarity to MM289242
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8413 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41522
Similarity: 0.6777
Similarity to MM41522
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8079 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67496
Similarity: 0.673
Similarity to MM67496
| Tanimoto metric | 0.673 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.8045 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
