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DocumentationIdentifier: MM51378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51378 |
| SMILES |
CC(C=O)C(C#N)N(C)C
|
| InChIKey |
SHDSPVQZFMLTCF-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53634
Similarity: 0.7049
Similarity to MM53634
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52414
Similarity: 0.6885
Similarity to MM52414
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8155 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44793
Similarity: 0.6735
Similarity to MM44793
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8049 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
