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DocumentationIdentifier: MM427378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427378 |
| SMILES |
CCN(C=N)C=CC=CF
|
| InChIKey |
YUXJRKCNUDROLE-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200712
Similarity: 0.8085
Similarity to MM200712
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170139
Similarity: 0.7128
Similarity to MM170139
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427372
Similarity: 0.7037
Similarity to MM427372
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8261 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
