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DocumentationIdentifier: MM360450
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360450 |
| SMILES |
C#CCNC(C)=NCC=O
|
| InChIKey |
UVLVYEKCRSZCQM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158877
Similarity: 0.7979
Similarity to MM158877
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76344
Similarity: 0.7009
Similarity to MM76344
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8242 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66467
Similarity: 0.6637
Similarity to MM66467
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7979 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
