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DocumentationIdentifier: MM45041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45041 |
| SMILES |
CC(=O)NCCC=CF
|
| InChIKey |
ZIXQMKBEIZHAAU-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM366908
Similarity: 0.7634
Similarity to MM366908
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236205
Similarity: 0.7553
Similarity to MM236205
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125829
Similarity: 0.7183
Similarity to MM125829
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8361 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
