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DocumentationIdentifier: MM248475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248475 |
| SMILES |
CNC(=N)CC(F)=C(C)C
|
| InChIKey |
PBVNIIZPNGTOKG-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143082
Similarity: 0.8244
Similarity to MM143082
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9038 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134410
Similarity: 0.7634
Similarity to MM134410
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8658 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265828
Similarity: 0.7415
Similarity to MM265828
| Tanimoto metric | 0.7415 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8516 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
