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DocumentationIdentifier: MM95548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95548 |
| SMILES |
CCN=C(N)CC(=O)CC
|
| InChIKey |
SCMONAIPIWTQMM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86376
Similarity: 0.7164
Similarity to MM86376
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8348 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263045
Similarity: 0.6853
Similarity to MM263045
| Tanimoto metric | 0.6853 |
|---|---|
| Cosine metric | 0.8135 |
| Dice metric | 0.8133 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88678
Similarity: 0.6667
Similarity to MM88678
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
