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DocumentationIdentifier: MM35284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35284 |
| SMILES |
N#CC(F)(C#N)C#N
|
| InChIKey |
KAPIKKAUNZSLAY-UHFFFAOYSA-N
|
| MW [Da] |
109.06
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25764
Similarity: 0.8974
Similarity to MM25764
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 98.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluoropropanedinitrile
Similarity: 0.5897
Similarity to 2-fluoropropanedinitrile
| Tanimoto metric | 0.5897 |
|---|---|
| Cosine metric | 0.7679 |
| Dice metric | 0.7419 |
| MW: | 84.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35205
Similarity: 0.5738
Similarity to MM35205
| Tanimoto metric | 0.5738 |
|---|---|
| Cosine metric | 0.7423 |
| Dice metric | 0.7292 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
