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DocumentationIdentifier: MM307337
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307337 |
| SMILES |
C=C(C)N(C=CC)C(C)=O
|
| InChIKey |
XGRRRBYGGMYFIO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181109
Similarity: 0.7609
Similarity to MM181109
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308231
Similarity: 0.7
Similarity to MM308231
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8235 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47688
Similarity: 0.6387
Similarity to MM47688
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7825 |
| Dice metric | 0.7795 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
