Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM166385
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166385 |
| SMILES |
CCCNCC(=O)CC
|
| InChIKey |
FBPRRKCURZQTEJ-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364587
Similarity: 0.9683
Similarity to MM364587
| Tanimoto metric | 0.9683 |
|---|---|
| Cosine metric | 0.984 |
| Dice metric | 0.9839 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41231
Similarity: 0.918
Similarity to MM41231
| Tanimoto metric | 0.918 |
|---|---|
| Cosine metric | 0.9581 |
| Dice metric | 0.9573 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258088
Similarity: 0.8356
Similarity to MM258088
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
