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DocumentationIdentifier: MM104281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104281 |
| SMILES |
NCC(O)CC(N)=O
|
| InChIKey |
VNVOVOGNNMKSTF-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
-1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135206
Similarity: 0.7692
Similarity to MM135206
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97161
Similarity: 0.7429
Similarity to MM97161
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108175
Similarity: 0.7229
Similarity to MM108175
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8392 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
