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DocumentationIdentifier: MM273582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273582 |
| SMILES |
CCC(=CCN)NC(C)=N
|
| InChIKey |
PTXNOYGNGWYNMM-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
MM150405
Similarity: 0.803
Similarity to MM150405
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273069
Similarity: 0.7303
Similarity to MM273069
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8441 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273581
Similarity: 0.7013
Similarity to MM273581
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8244 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
