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DocumentationIdentifier: MM350659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350659 |
| SMILES |
C#CCNC(=N)C(N)CN
|
| InChIKey |
QMGWWNPYDITNEW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
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
MM172949
Similarity: 0.7967
Similarity to MM172949
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8869 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162575
Similarity: 0.7886
Similarity to MM162575
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350145
Similarity: 0.7259
Similarity to MM350145
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8412 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
