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DocumentationIdentifier: MM312848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312848 |
| SMILES |
N#CCC(C#N)(C#N)CF
|
| InChIKey |
ALIBCQVXTNVHQV-UHFFFAOYSA-N
|
| MW [Da] |
137.12
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42244
Similarity: 0.8222
Similarity to MM42244
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77975
Similarity: 0.6981
Similarity to MM77975
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8222 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77970
Similarity: 0.6491
Similarity to MM77970
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.7879 |
| Dice metric | 0.7872 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
