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DocumentationIdentifier: MM420817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420817 |
| SMILES |
CNCCC=CC1NC1C
|
| InChIKey |
WLDGVPUUPLFUIF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195680
Similarity: 0.94
Similarity to MM195680
| Tanimoto metric | 0.94 |
|---|---|
| Cosine metric | 0.9695 |
| Dice metric | 0.9691 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448026
Similarity: 0.8103
Similarity to MM448026
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8952 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193014
Similarity: 0.7826
Similarity to MM193014
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.878 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
