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DocumentationIdentifier: MM87067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87067 |
| SMILES |
COCC(=CCF)NC=N
|
| InChIKey |
PJPQQDMIXCHGBY-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178542
Similarity: 0.768
Similarity to MM178542
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73382
Similarity: 0.6875
Similarity to MM73382
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8148 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304200
Similarity: 0.6712
Similarity to MM304200
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.8033 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
