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DocumentationIdentifier: MM47311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47311 |
| SMILES |
CCCCNC(=O)CNC
|
| InChIKey |
YPQBXFWRJLBFDU-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156151
Similarity: 0.8353
Similarity to MM156151
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51950
Similarity: 0.8022
Similarity to MM51950
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8902 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47308
Similarity: 0.7172
Similarity to MM47308
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8353 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
