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DocumentationIdentifier: MM300891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300891 |
| SMILES |
CCCCCC(F)C(C)C
|
| InChIKey |
KAAYTWYYPNGWDO-UHFFFAOYSA-N
|
| MW [Da] |
146.25
Automatically obtained from RDkit software. |
| LogP |
3.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254490
Similarity: 0.8571
Similarity to MM254490
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9231 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254493
Similarity: 0.8261
Similarity to MM254493
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9048 |
| MW: | 150.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300859
Similarity: 0.726
Similarity to MM300859
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.8413 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+540 more
