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DocumentationIdentifier: MM198842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198842 |
| SMILES |
CCCNC(C=O)CC
|
| InChIKey |
OERVZLZVWRZAAU-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326759
Similarity: 0.9079
Similarity to MM326759
| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9517 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403041
Similarity: 0.8734
Similarity to MM403041
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116028
Similarity: 0.8551
Similarity to MM116028
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
