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DocumentationIdentifier: MM448001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448001 |
| SMILES |
C=CCC=CC1NC1CN
|
| InChIKey |
YIAQLHLZLQZXLK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447993
Similarity: 0.8369
Similarity to MM447993
| Tanimoto metric | 0.8369 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9112 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127948
Similarity: 0.7836
Similarity to MM127948
| Tanimoto metric | 0.7836 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217089
Similarity: 0.7718
Similarity to MM217089
| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8712 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
