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DocumentationIdentifier: MM362913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362913 |
| SMILES |
CCCOCCC(F)CC
|
| InChIKey |
JVBBPZFPMKKFAV-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165528
Similarity: 0.9841
Similarity to MM165528
| Tanimoto metric | 0.9841 |
|---|---|
| Cosine metric | 0.992 |
| Dice metric | 0.992 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291121
Similarity: 0.8986
Similarity to MM291121
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9466 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112563
Similarity: 0.8095
Similarity to MM112563
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
