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DocumentationIdentifier: MM396757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396757 |
| SMILES |
C=CCC1NC1C(=O)CC
|
| InChIKey |
XQEUTDOWASJBQE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400791
Similarity: 0.7796
Similarity to MM400791
| Tanimoto metric | 0.7796 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419042
Similarity: 0.696
Similarity to MM419042
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8208 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416868
Similarity: 0.6759
Similarity to MM416868
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8066 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
