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DocumentationIdentifier: MM231451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231451 |
| SMILES |
CC(C)(O)C(N)CC=CF
|
| InChIKey |
NJNCMLQWYQDONH-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78943
Similarity: 0.7886
Similarity to MM78943
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162797
Similarity: 0.748
Similarity to MM162797
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8558 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231450
Similarity: 0.6783
Similarity to MM231450
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.8083 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
