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DocumentationIdentifier: MM97411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97411 |
| SMILES |
N=CNCC(N)=O
|
| InChIKey |
CGQBWZRDZRTGNI-UHFFFAOYSA-N
|
| MW [Da] |
101.11
Automatically obtained from RDkit software. |
| LogP |
-1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105886
Similarity: 0.7719
Similarity to MM105886
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104380
Similarity: 0.6984
Similarity to MM104380
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8224 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103466
Similarity: 0.6667
Similarity to MM103466
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
