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DocumentationIdentifier: MM90884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90884 |
| SMILES |
NCCCCC(=CF)CF
|
| InChIKey |
HONRBSDBBLNPBH-UHFFFAOYSA-N
|
| MW [Da] |
149.18
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
MM409907
Similarity: 0.7426
Similarity to MM409907
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8523 |
| MW: | 152.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166332
Similarity: 0.6989
Similarity to MM166332
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167738
Similarity: 0.6882
Similarity to MM167738
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8153 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
