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DocumentationIdentifier: MM160708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160708 |
| SMILES |
C=CC(=O)N(C)C(=C)C
|
| InChIKey |
UHUFRPXYDZCPJM-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM299498
Similarity: 0.8099
Similarity to MM299498
| Tanimoto metric | 0.8099 |
|---|---|
| Cosine metric | 0.8999 |
| Dice metric | 0.8949 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM74678
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| Tanimoto metric | 0.7986 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.888 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350879
Similarity: 0.7468
Similarity to MM350879
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
