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DocumentationIdentifier: MM334972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334972 |
| SMILES |
C=CC(=NC)NC(C)=CF
|
| InChIKey |
IGMWCZJOBIQTQI-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143248
Similarity: 0.7394
Similarity to MM143248
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266283
Similarity: 0.6522
Similarity to MM266283
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7913 |
| Dice metric | 0.7895 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200413
Similarity: 0.6479
Similarity to MM200413
| Tanimoto metric | 0.6479 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.7863 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
