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DocumentationIdentifier: MM131968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131968 |
| SMILES |
CCCC(N)C(C)(C)C
|
| InChIKey |
JGIHOPRCMAKAIO-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231193
Similarity: 0.8529
Similarity to MM231193
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231194
Similarity: 0.8286
Similarity to MM231194
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102512
Similarity: 0.7586
Similarity to MM102512
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
