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DocumentationIdentifier: MM225697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225697 |
| SMILES |
C#CC(C)(C)N(C)C(C)=N
|
| InChIKey |
XCIYMMWEXUATDG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM130885
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| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7963 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6601 |
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| Cosine metric | 0.7955 |
| Dice metric | 0.7953 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.55 |
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Total active interactions
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MM349923
Similarity: 0.6398
Similarity to MM349923
| Tanimoto metric | 0.6398 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7803 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
