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DocumentationIdentifier: MM144743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144743 |
| SMILES |
C=CC(=N)NCC(F)F
|
| InChIKey |
ZXEXBEQOXNJKRR-UHFFFAOYSA-N
|
| MW [Da] |
134.13
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
MM342120
Similarity: 0.7264
Similarity to MM342120
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145134
Similarity: 0.604
Similarity to MM145134
| Tanimoto metric | 0.604 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.7531 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98123
Similarity: 0.5844
Similarity to MM98123
| Tanimoto metric | 0.5844 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7377 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
