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DocumentationIdentifier: MM48517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48517 |
| SMILES |
C=CC(C#N)(CF)C(=N)N
|
| InChIKey |
GDLNFAUWNRDGDQ-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244533
Similarity: 0.7424
Similarity to MM244533
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8522 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68568
Similarity: 0.6506
Similarity to MM68568
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.7883 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140029
Similarity: 0.6446
Similarity to MM140029
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.7839 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
