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DocumentationIdentifier: MM228118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228118 |
| SMILES |
CC(C)(C=O)CCC(=N)N
|
| InChIKey |
CECKPYQYJFLFNU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340825
Similarity: 0.6757
Similarity to MM340825
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8065 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268548
Similarity: 0.6638
Similarity to MM268548
| Tanimoto metric | 0.6638 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7979 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130386
Similarity: 0.6593
Similarity to MM130386
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.7947 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
