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DocumentationIdentifier: MM461052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM461052 |
| SMILES |
CC#CC1NC1C(=O)CO
|
| InChIKey |
KSGYYXIGBLMKGP-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460609
Similarity: 0.8522
Similarity to MM460609
| Tanimoto metric | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394550
Similarity: 0.7696
Similarity to MM394550
| Tanimoto metric | 0.7696 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8698 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401401
Similarity: 0.6642
Similarity to MM401401
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7982 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
