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DocumentationIdentifier: MM371170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371170 |
| SMILES |
CCC(C)=CCC#CC=O
|
| InChIKey |
QHBLXONTXRGZPH-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171402
Similarity: 0.8143
Similarity to MM171402
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155009
Similarity: 0.8
Similarity to MM155009
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371128
Similarity: 0.7703
Similarity to MM371128
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8702 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+668 more
