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DocumentationIdentifier: MM159612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159612 |
| SMILES |
CC(=COC=O)NC=N
|
| InChIKey |
ZODREIGGTCLISF-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83639
Similarity: 0.7816
Similarity to MM83639
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73276
Similarity: 0.7436
Similarity to MM73276
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360412
Similarity: 0.7373
Similarity to MM360412
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
