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DocumentationIdentifier: MM137680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137680 |
| SMILES |
C=CC(C)(C)N(C)C=N
|
| InChIKey |
AAOSYEALFHPGSA-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.49
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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Similarity to MM320248
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7925 |
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| Cosine metric | 0.8902 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111657
Similarity: 0.7381
Similarity to MM111657
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
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| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
