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DocumentationIdentifier: MM126443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126443 |
| SMILES |
N#CCCC#CC=O
|
| InChIKey |
LOCCCGYOIRSTKX-UHFFFAOYSA-N
|
| MW [Da] |
107.11
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154608
Similarity: 0.7667
Similarity to MM154608
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169161
Similarity: 0.7188
Similarity to MM169161
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216000
Similarity: 0.7143
Similarity to MM216000
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8333 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
