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DocumentationIdentifier: MM383302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383302 |
| SMILES |
CC=CCC(C=O)=CNC
|
| InChIKey |
YKWQJVDKDSXLHS-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51948
Similarity: 0.8252
Similarity to MM51948
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274446
Similarity: 0.7083
Similarity to MM274446
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8293 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420042
Similarity: 0.7054
Similarity to MM420042
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8272 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
