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DocumentationIdentifier: MM386836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386836 |
| SMILES |
N=CNC(=CC=CF)CN
|
| InChIKey |
LIUCOFZBAHJZIU-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383123
Similarity: 0.6822
Similarity to MM383123
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8111 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89607
Similarity: 0.6718
Similarity to MM89607
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8037 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383272
Similarity: 0.5946
Similarity to MM383272
| Tanimoto metric | 0.5946 |
|---|---|
| Cosine metric | 0.7479 |
| Dice metric | 0.7458 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
