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DocumentationIdentifier: MM320231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320231 |
| SMILES |
CC(C#N)(C=O)C(F)C#N
|
| InChIKey |
LFTWMYYYZMMNAV-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
MM15671
Similarity: 0.7385
Similarity to MM15671
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137660
Similarity: 0.6846
Similarity to MM137660
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8128 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78063
Similarity: 0.6447
Similarity to MM78063
| Tanimoto metric | 0.6447 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.784 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
