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DocumentationIdentifier: MM308594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308594 |
| SMILES |
C=CC(C)(CF)OCCN
|
| InChIKey |
VUAJUENYLKKSTJ-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67597
Similarity: 0.7207
Similarity to MM67597
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235209
Similarity: 0.7206
Similarity to MM235209
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8376 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308846
Similarity: 0.7077
Similarity to MM308846
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8288 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
