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DocumentationIdentifier: MM313616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313616 |
| SMILES |
CC(F)C(C#N)(C#N)C=O
|
| InChIKey |
XAAVDCNRGQDVGR-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
MM229842
Similarity: 0.6369
Similarity to MM229842
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7782 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313618
Similarity: 0.6129
Similarity to MM313618
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.76 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15673
Similarity: 0.6
Similarity to MM15673
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
