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DocumentationIdentifier: MM234045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234045 |
| SMILES |
CC(C)(CC=CF)NC=N
|
| InChIKey |
CBAIVJBQSSZXGK-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132408
Similarity: 0.767
Similarity to MM132408
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156763
Similarity: 0.7573
Similarity to MM156763
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234044
Similarity: 0.6612
Similarity to MM234044
| Tanimoto metric | 0.6612 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.796 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
