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DocumentationIdentifier: MM272916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272916 |
| SMILES |
C=CC(C#CC)NC(C)=N
|
| InChIKey |
KGWKSLHZTLFMGM-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94522
Similarity: 0.776
Similarity to MM94522
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178393
Similarity: 0.704
Similarity to MM178393
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272859
Similarity: 0.6689
Similarity to MM272859
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8017 |
| Dice metric | 0.8016 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
