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DocumentationIdentifier: MM79971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79971 |
| SMILES |
CCC(=O)NC(C#N)CF
|
| InChIKey |
KYOCWEKIXMPUNK-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80126
Similarity: 0.6522
Similarity to MM80126
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7895 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229409
Similarity: 0.6335
Similarity to MM229409
| Tanimoto metric | 0.6335 |
|---|---|
| Cosine metric | 0.7758 |
| Dice metric | 0.7757 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275135
Similarity: 0.6289
Similarity to MM275135
| Tanimoto metric | 0.6289 |
|---|---|
| Cosine metric | 0.7722 |
| Dice metric | 0.7722 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
