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DocumentationIdentifier: MM392108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392108 |
| SMILES |
C#CC(C(N)=O)=C(C)CN
|
| InChIKey |
CTSGKAOYHKPRCL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180799
Similarity: 0.812
Similarity to MM180799
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8963 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397108
Similarity: 0.6879
Similarity to MM397108
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8151 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291284
Similarity: 0.6541
Similarity to MM291284
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.7909 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
