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DocumentationIdentifier: MM379720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379720 |
| SMILES |
N=CNC(C#CCN)CN
|
| InChIKey |
HRYLJGJYSDGZOF-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 |
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MM379718
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Similarity to MM379718
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7273 |
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| Cosine metric | 0.8426 |
| Dice metric | 0.8421 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158391
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Similarity to MM158391
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8256 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
