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DocumentationIdentifier: MM199964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199964 |
| SMILES |
CCC(=NCC=O)NC
|
| InChIKey |
QUEGLASPMJROCS-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116412
Similarity: 0.7753
Similarity to MM116412
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199796
Similarity: 0.6863
Similarity to MM199796
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.814 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200043
Similarity: 0.6481
Similarity to MM200043
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7865 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
