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DocumentationIdentifier: MM130811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130811 |
| SMILES |
C=CC(C)(C)CC(=N)N
|
| InChIKey |
DXANNCQAMHARJY-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.52
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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MM229483
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Similarity to MM229483
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM221909
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| Tanimoto metric | 0.7843 |
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| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.91 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226983
Similarity: 0.7477
Similarity to MM226983
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
