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DocumentationIdentifier: MM298564
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298564 |
| SMILES |
C=C(C(C)=O)C(O)CC#N
|
| InChIKey |
OGNWAENOSSXUBG-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47553
Similarity: 0.7632
Similarity to MM47553
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172765
Similarity: 0.6974
Similarity to MM172765
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8217 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298428
Similarity: 0.6842
Similarity to MM298428
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8125 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
