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DocumentationIdentifier: MM180151
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180151 |
| SMILES |
CC=CC(CF)C(=N)N
|
| InChIKey |
WRJTXSMPEMNCMD-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275831
Similarity: 0.832
Similarity to MM275831
| Tanimoto metric | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395511
Similarity: 0.8125
Similarity to MM395511
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275834
Similarity: 0.6887
Similarity to MM275834
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8157 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
