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DocumentationIdentifier: MM360297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360297 |
| SMILES |
CC(=CCCN)CNC=N
|
| InChIKey |
ZPJOTNWPFRRJSP-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM238360
Similarity: 0.7653
Similarity to MM238360
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8671 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159460
Similarity: 0.7619
Similarity to MM159460
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360299
Similarity: 0.7426
Similarity to MM360299
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8523 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
