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DocumentationIdentifier: MM374662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374662 |
| SMILES |
CNC(=N)CC=CC=CF
|
| InChIKey |
SBVFHBAINMVZPT-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168627
Similarity: 0.837
Similarity to MM168627
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280422
Similarity: 0.6937
Similarity to MM280422
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8191 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113606
Similarity: 0.6848
Similarity to MM113606
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8129 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
