Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM254895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254895 |
| SMILES |
C=CC(=O)C1NC1CO
|
| InChIKey |
ZMVVHGBPXIDWCA-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM429359
Similarity: 0.7358
Similarity to MM429359
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254578
Similarity: 0.715
Similarity to MM254578
| Tanimoto metric | 0.715 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8338 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231947
Similarity: 0.6993
Similarity to MM231947
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.823 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
