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DocumentationIdentifier: MM452435
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452435 |
| SMILES |
CN=CNCC=CC=CF
|
| InChIKey |
WEBVVBKSTGDYLW-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215171
Similarity: 0.8429
Similarity to MM215171
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214043
Similarity: 0.8
Similarity to MM214043
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452433
Similarity: 0.7467
Similarity to MM452433
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.855 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
