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DocumentationIdentifier: MM452833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452833 |
| SMILES |
CCC=COC=CNC=O
|
| InChIKey |
YQIDVRTUTGRQRV-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215368
Similarity: 0.8657
Similarity to MM215368
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290467
Similarity: 0.7662
Similarity to MM290467
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8676 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452838
Similarity: 0.7342
Similarity to MM452838
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8467 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
