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DocumentationIdentifier: MM178956
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178956 |
| SMILES |
N=CNC(=CCN)CN
|
| InChIKey |
ZTHDXEHUFWWXGD-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM107883
Similarity: 0.7241
Similarity to MM107883
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92573
Similarity: 0.6571
Similarity to MM92573
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7931 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178955
Similarity: 0.6389
Similarity to MM178955
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7798 |
| Dice metric | 0.7797 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
