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DocumentationIdentifier: MM116173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116173 |
| SMILES |
C=CN(C=O)CCC
|
| InChIKey |
ZTHQOLRLBINPRS-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199199
Similarity: 0.8158
Similarity to MM199199
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199296
Similarity: 0.8052
Similarity to MM199296
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149831
Similarity: 0.8052
Similarity to MM149831
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
