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DocumentationIdentifier: MM135513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135513 |
| SMILES |
C=C(C)NC(=N)CCC
|
| InChIKey |
PPEISLAOCPQYKV-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236895
Similarity: 0.8796
Similarity to MM236895
| Tanimoto metric | 0.8796 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236894
Similarity: 0.8559
Similarity to MM236894
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237008
Similarity: 0.8482
Similarity to MM237008
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
