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DocumentationIdentifier: MM356800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356800 |
| SMILES |
O=CNCC(=O)OC=CF
|
| InChIKey |
GVKYMPRZKMEAMW-UHFFFAOYSA-N
|
| MW [Da] |
147.11
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46078
Similarity: 0.8077
Similarity to MM46078
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356796
Similarity: 0.7016
Similarity to MM356796
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8246 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356798
Similarity: 0.6942
Similarity to MM356798
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
