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DocumentationIdentifier: MM163232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163232 |
| SMILES |
CCC=CN(C)C(C)=N
|
| InChIKey |
IFOLWUGTNMRMBH-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.84
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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MM292985
Similarity: 0.8889
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| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305974
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| Tanimoto metric | 0.8627 |
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| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305976
Similarity: 0.8381
Similarity to MM305976
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
