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DocumentationIdentifier: MM361775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361775 |
| SMILES |
OCCCC(O)C(F)CO
|
| InChIKey |
NCAIBVRGHKOZEB-UHFFFAOYSA-N
|
| MW [Da] |
152.17
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47821
Similarity: 0.8041
Similarity to MM47821
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361773
Similarity: 0.7818
Similarity to MM361773
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8776 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268284
Similarity: 0.7603
Similarity to MM268284
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8638 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
