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DocumentationIdentifier: MM02173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02173 |
| SMILES |
CC(F)C(=O)C(C#N)C#N
|
| InChIKey |
HORNPUIPUPSWNN-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223916
Similarity: 0.731
Similarity to MM223916
| Tanimoto metric | 0.731 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8446 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15581
Similarity: 0.6833
Similarity to MM15581
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8119 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82633
Similarity: 0.6646
Similarity to MM82633
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.7985 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
