Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM145551
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145551 |
| SMILES |
NCC(O)C=CC(N)=O
|
| InChIKey |
RZHHHFIKRPQWFX-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM265021
Similarity: 0.7667
Similarity to MM265021
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343815
Similarity: 0.7438
Similarity to MM343815
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8531 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228399
Similarity: 0.7087
Similarity to MM228399
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
