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DocumentationIdentifier: MM83330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83330 |
| SMILES |
C=CN(C=NCCN)CC
|
| InChIKey |
MLKGGNKDRPTRGI-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200669
Similarity: 0.8675
Similarity to MM200669
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83289
Similarity: 0.77
Similarity to MM83289
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8701 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83325
Similarity: 0.7677
Similarity to MM83325
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8686 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
