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DocumentationIdentifier: MM313618
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313618 |
| SMILES |
CC(F)C(C#N)(C#N)C#N
|
| InChIKey |
QKXOBZMBNHTQIS-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
MM116974
Similarity: 0.675
Similarity to MM116974
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313616
Similarity: 0.6129
Similarity to MM313616
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.76 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53128
Similarity: 0.6
Similarity to MM53128
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
