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DocumentationIdentifier: MM54240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54240 |
| SMILES |
COC(C=O)CCCF
|
| InChIKey |
QBGNPKDCVZOMFG-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326746
Similarity: 0.6512
Similarity to MM326746
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.7887 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112571
Similarity: 0.6429
Similarity to MM112571
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.7826 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406753
Similarity: 0.6316
Similarity to MM406753
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7742 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
