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DocumentationIdentifier: MM150587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150587 |
| SMILES |
C#CC(=CF)NC(C)=N
|
| InChIKey |
YHKWEGFCNJRACO-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273364
Similarity: 0.8015
Similarity to MM273364
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8898 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334616
Similarity: 0.773
Similarity to MM334616
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334568
Similarity: 0.7676
Similarity to MM334568
| Tanimoto metric | 0.7676 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8685 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
