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DocumentationIdentifier: MM224099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224099 |
| SMILES |
CCC(CC)CC(C)(C)F
|
| InChIKey |
XULMRFBPYXRYFW-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
MM129980
Similarity: 0.9118
Similarity to MM129980
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221083
Similarity: 0.8077
Similarity to MM221083
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8942 |
| Dice metric | 0.8936 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225997
Similarity: 0.7654
Similarity to MM225997
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8671 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
