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DocumentationIdentifier: MM222571
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222571 |
| SMILES |
CC(=O)C(C)CC(C)(F)F
|
| InChIKey |
UZHMLHAYLFWSEC-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM224173
Similarity: 0.792
Similarity to MM224173
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8839 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133612
Similarity: 0.7479
Similarity to MM133612
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245130
Similarity: 0.6642
Similarity to MM245130
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7982 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
