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DocumentationIdentifier: MM167729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167729 |
| SMILES |
C#CC(=O)CCC#CC
|
| InChIKey |
PABLJZSTFCKXCM-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371213
Similarity: 0.9538
Similarity to MM371213
| Tanimoto metric | 0.9538 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9764 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371252
Similarity: 0.8986
Similarity to MM371252
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279691
Similarity: 0.8857
Similarity to MM279691
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
