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DocumentationIdentifier: MM111748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111748 |
| SMILES |
CNC(=N)C(N)CN
|
| InChIKey |
LXHFYYAJXXHTBZ-UHFFFAOYSA-N
|
| MW [Da] |
116.17
Automatically obtained from RDkit software. |
| LogP |
-1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172392
Similarity: 0.8621
Similarity to MM172392
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172949
Similarity: 0.7653
Similarity to MM172949
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.8671 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197214
Similarity: 0.7576
Similarity to MM197214
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
