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DocumentationIdentifier: MM108355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108355 |
| SMILES |
CCNC(=N)C(C)O
|
| InChIKey |
OTXVJDRDIACUDG-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162408
Similarity: 0.8478
Similarity to MM162408
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9176 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162407
Similarity: 0.7959
Similarity to MM162407
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162512
Similarity: 0.78
Similarity to MM162512
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
