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DocumentationIdentifier: MM236885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236885 |
| SMILES |
C=C(CCCN)NC(C)=N
|
| InChIKey |
RFUUIOXRERYCIV-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135503
Similarity: 0.8727
Similarity to MM135503
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.932 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237006
Similarity: 0.8033
Similarity to MM237006
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.8909 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263091
Similarity: 0.7559
Similarity to MM263091
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.861 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
