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DocumentationIdentifier: MM23561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23561 |
| SMILES |
CC(C)(C)F
|
| InChIKey |
GSMZLBOYBDRGBN-UHFFFAOYSA-N
|
| MW [Da] |
76.11
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23487
Similarity: 0.7143
Similarity to MM23487
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 62.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23847
Similarity: 0.5833
Similarity to MM23847
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7368 |
| MW: | 90.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23850
Similarity: 0.5833
Similarity to MM23850
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7368 |
| MW: | 94.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
