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DocumentationIdentifier: MM233888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233888 |
| SMILES |
C=CCC(C)(F)CCOC
|
| InChIKey |
OOAGOXOZBOAUBX-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132363
Similarity: 0.8019
Similarity to MM132363
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243015
Similarity: 0.7456
Similarity to MM243015
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8543 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138127
Similarity: 0.7075
Similarity to MM138127
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8287 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
