Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM97161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97161 |
| SMILES |
CC(O)CC(N)=O
|
| InChIKey |
OOHIGOIEQKKEPK-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104351
Similarity: 0.7536
Similarity to MM104351
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104282
Similarity: 0.7429
Similarity to MM104282
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104281
Similarity: 0.7429
Similarity to MM104281
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
