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DocumentationIdentifier: MM348882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348882 |
| SMILES |
CNC(=N)C(N)CCOC
|
| InChIKey |
ZTLZGEPOGNXBRQ-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.45
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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| Tanimoto metric | 0.8203 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9013 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.7756 |
| Dice metric | 0.7512 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
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| AI: | 0
Total active interactions
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Similarity to MM108165
| Tanimoto metric | 0.5781 |
|---|---|
| Cosine metric | 0.7603 |
| Dice metric | 0.7327 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
