Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM355897
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355897 |
| SMILES |
CCCN=C(N)CCC=O
|
| InChIKey |
OGRKEFZJTHDPAX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236812
Similarity: 0.767
Similarity to MM236812
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8681 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113141
Similarity: 0.7241
Similarity to MM113141
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262685
Similarity: 0.7117
Similarity to MM262685
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8316 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
