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DocumentationIdentifier: MM132642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132642 |
| SMILES |
CC(F)C(C)(C)OC=O
|
| InChIKey |
LZHQTESXQMTAEM-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222423
Similarity: 0.7669
Similarity to MM222423
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8681 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243665
Similarity: 0.7445
Similarity to MM243665
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222424
Similarity: 0.7286
Similarity to MM222424
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
