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DocumentationIdentifier: MM42907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42907 |
| SMILES |
C=CC(=O)CC(O)CF
|
| InChIKey |
ZIDDMZKRAMXGQQ-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264290
Similarity: 0.8211
Similarity to MM264290
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9018 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264291
Similarity: 0.808
Similarity to MM264291
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM32925
Similarity: 0.6832
Similarity to MM32925
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
