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DocumentationIdentifier: MM412436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412436 |
| SMILES |
CC(=CC=CF)C(C)(C)O
|
| InChIKey |
UQZOYJFCOVKEDX-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM411547
Similarity: 0.8083
Similarity to MM411547
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367001
Similarity: 0.7417
Similarity to MM367001
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412366
Similarity: 0.7313
Similarity to MM412366
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8448 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
