Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94446 |
| SMILES |
COC(CC#N)C(=O)CO
|
| InChIKey |
XIDVHKOGFGZYST-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179873
Similarity: 0.7407
Similarity to MM179873
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71796
Similarity: 0.7267
Similarity to MM71796
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8417 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197221
Similarity: 0.7259
Similarity to MM197221
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
