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DocumentationIdentifier: MM243346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243346 |
| SMILES |
CC(C=CF)(CN)NC=N
|
| InChIKey |
VMXRYFBYJIJWIV-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132481
Similarity: 0.6484
Similarity to MM132481
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.7867 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312625
Similarity: 0.637
Similarity to MM312625
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7802 |
| Dice metric | 0.7782 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79905
Similarity: 0.6327
Similarity to MM79905
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7767 |
| Dice metric | 0.775 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
