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DocumentationIdentifier: MM150971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150971 |
| SMILES |
NCC(=CC(N)=O)CN
|
| InChIKey |
XKGIXIUQJGIISB-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104985
Similarity: 0.8592
Similarity to MM104985
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300509
Similarity: 0.732
Similarity to MM300509
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136459
Similarity: 0.6596
Similarity to MM136459
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.7949 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
