Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM250762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250762 |
| SMILES |
CC(=O)NCC(O)CC#N
|
| InChIKey |
ADKSGZLTZAKHFG-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144291
Similarity: 0.7876
Similarity to MM144291
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316540
Similarity: 0.6742
Similarity to MM316540
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8054 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316542
Similarity: 0.6312
Similarity to MM316542
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.774 |
| Dice metric | 0.7739 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
