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DocumentationIdentifier: MM386891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386891 |
| SMILES |
C=CC(CCN)CNC=O
|
| InChIKey |
JOSGLDGTPIXQEP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316531
Similarity: 0.8191
Similarity to MM316531
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89102
Similarity: 0.7766
Similarity to MM89102
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8743 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314830
Similarity: 0.7477
Similarity to MM314830
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
