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DocumentationIdentifier: MM455783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455783 |
| SMILES |
CNC(C=CC1CN1)CN
|
| InChIKey |
NMDNLFZKAMPXIM-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM343362
Similarity: 0.8505
Similarity to MM343362
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9192 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209301
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| Tanimoto metric | 0.8131 |
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| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM209306
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Similarity to MM209306
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
