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DocumentationIdentifier: MM95295
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95295 |
| SMILES |
CC(=CC=O)N(C)C=N
|
| InChIKey |
WTQDPJRFEXBSNL-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420622
Similarity: 0.752
Similarity to MM420622
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8584 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78892
Similarity: 0.746
Similarity to MM78892
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67861
Similarity: 0.7068
Similarity to MM67861
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8282 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
