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DocumentationIdentifier: MM407643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407643 |
| SMILES |
CCCC(=O)C(CO)CF
|
| InChIKey |
YCXBRCDTPXKFSK-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84839
Similarity: 0.7
Similarity to MM84839
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8235 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172909
Similarity: 0.6341
Similarity to MM172909
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7761 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407630
Similarity: 0.6096
Similarity to MM407630
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7583 |
| Dice metric | 0.7574 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
