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DocumentationIdentifier: MM320229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320229 |
| SMILES |
CC(C=O)(C=O)C(F)C#N
|
| InChIKey |
ZJNDDHONSHJKOE-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137660
Similarity: 0.8318
Similarity to MM137660
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02363
Similarity: 0.6449
Similarity to MM02363
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.7841 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320231
Similarity: 0.6014
Similarity to MM320231
| Tanimoto metric | 0.6014 |
|---|---|
| Cosine metric | 0.7546 |
| Dice metric | 0.7511 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
