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DocumentationIdentifier: MM57610
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57610 |
| SMILES |
C#CC(=CF)N(C)C=N
|
| InChIKey |
CHLCLUFIAINPHX-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382453
Similarity: 0.7971
Similarity to MM382453
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57789
Similarity: 0.6909
Similarity to MM57789
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8172 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112260
Similarity: 0.6818
Similarity to MM112260
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
