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DocumentationIdentifier: MM282706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282706 |
| SMILES |
N#CCC#CC(F)CC=O
|
| InChIKey |
IWWDPMILUSNMCV-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170493
Similarity: 0.7614
Similarity to MM170493
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252666
Similarity: 0.703
Similarity to MM252666
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8256 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282703
Similarity: 0.7019
Similarity to MM282703
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8249 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
