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DocumentationIdentifier: MM47929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47929 |
| SMILES |
C#CC(CO)N(C)C=NC
|
| InChIKey |
DQRCKBAUTKJSSA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199587
Similarity: 0.6855
Similarity to MM199587
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8134 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174104
Similarity: 0.6694
Similarity to MM174104
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96120
Similarity: 0.6613
Similarity to MM96120
| Tanimoto metric | 0.6613 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.7961 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
