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DocumentationIdentifier: MM75658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75658 |
| SMILES |
CC(=O)N(CC#N)CCF
|
| InChIKey |
WNNZWWZCTZEAOV-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178003
Similarity: 0.7282
Similarity to MM178003
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305493
Similarity: 0.7238
Similarity to MM305493
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8398 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52263
Similarity: 0.7184
Similarity to MM52263
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
