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DocumentationIdentifier: MM229771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229771 |
| SMILES |
CC(C)(C)C(F)(CO)CO
|
| InChIKey |
UNYKSBHPTPNRAS-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319558
Similarity: 0.6909
Similarity to MM319558
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8172 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35084
Similarity: 0.6264
Similarity to MM35084
| Tanimoto metric | 0.6264 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7703 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41467
Similarity: 0.6111
Similarity to MM41467
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7594 |
| Dice metric | 0.7586 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
