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DocumentationIdentifier: MM370085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370085 |
| SMILES |
N#CC(F)=CCOCCO
|
| InChIKey |
ATRNJGKOXLEZSN-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171156
Similarity: 0.8851
Similarity to MM171156
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370192
Similarity: 0.7938
Similarity to MM370192
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370265
Similarity: 0.7549
Similarity to MM370265
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8603 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
