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DocumentationIdentifier: MM139374
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139374 |
| SMILES |
COCC(F)(C=O)CO
|
| InChIKey |
HRXDKYQUPFMNSN-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308533
Similarity: 0.8
Similarity to MM308533
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77227
Similarity: 0.7731
Similarity to MM77227
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42357
Similarity: 0.6857
Similarity to MM42357
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8136 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
