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DocumentationIdentifier: MM360311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360311 |
| SMILES |
CNCC=C(C)CNC=O
|
| InChIKey |
POQHJFRTUHYKAE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158829
Similarity: 0.9467
Similarity to MM158829
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284673
Similarity: 0.8961
Similarity to MM284673
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9452 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171058
Similarity: 0.7922
Similarity to MM171058
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8841 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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