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DocumentationIdentifier: MM406637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406637 |
| SMILES |
C=CC=CCN(C=O)CC
|
| InChIKey |
SUHUTWMOZMFVLX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199559
Similarity: 0.8354
Similarity to MM199559
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168366
Similarity: 0.7848
Similarity to MM168366
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65669
Similarity: 0.75
Similarity to MM65669
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8571 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
