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DocumentationIdentifier: MM455781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455781 |
| SMILES |
CCC(C=CC1CN1)NC
|
| InChIKey |
FQIBGYAQAGGULE-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209300
Similarity: 0.8214
Similarity to MM209300
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343360
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Similarity to MM343360
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM434750
Similarity: 0.7623
Similarity to MM434750
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8651 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
