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DocumentationIdentifier: MM253651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253651 |
| SMILES |
CC=CC(F)=CCC(=N)N
|
| InChIKey |
TZNNBFOFOYCCAR-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146689
Similarity: 0.8704
Similarity to MM146689
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256142
Similarity: 0.7059
Similarity to MM256142
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8276 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256135
Similarity: 0.6483
Similarity to MM256135
| Tanimoto metric | 0.6483 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7866 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
