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DocumentationIdentifier: MM378711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378711 |
| SMILES |
CC(=CF)CC(C)(C)CO
|
| InChIKey |
ZAGCLQXHFMDWAK-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378598
Similarity: 0.7228
Similarity to MM378598
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352008
Similarity: 0.6777
Similarity to MM352008
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8079 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367908
Similarity: 0.664
Similarity to MM367908
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.7984 |
| Dice metric | 0.7981 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
