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DocumentationIdentifier: MM227802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227802 |
| SMILES |
CC(C)OCC(C)(F)CO
|
| InChIKey |
DXZXPNHBEFKCCE-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130371
Similarity: 0.7556
Similarity to MM130371
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239320
Similarity: 0.7475
Similarity to MM239320
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8555 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239322
Similarity: 0.7255
Similarity to MM239322
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8409 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
