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DocumentationIdentifier: MM400646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400646 |
| SMILES |
C=CN(C=N)C(CC)CN
|
| InChIKey |
HJCRHXMBDXJUNL-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196891
Similarity: 0.6617
Similarity to MM196891
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7964 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379294
Similarity: 0.5935
Similarity to MM379294
| Tanimoto metric | 0.5935 |
|---|---|
| Cosine metric | 0.7472 |
| Dice metric | 0.7449 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238966
Similarity: 0.5849
Similarity to MM238966
| Tanimoto metric | 0.5849 |
|---|---|
| Cosine metric | 0.7392 |
| Dice metric | 0.7381 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
