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DocumentationIdentifier: MM228942
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228942 |
| SMILES |
CCC(F)(CC)CC(C)C
|
| InChIKey |
VXMBIKQRYHTYFG-UHFFFAOYSA-N
|
| MW [Da] |
146.25
Automatically obtained from RDkit software. |
| LogP |
3.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130604
Similarity: 0.9104
Similarity to MM130604
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139194
Similarity: 0.791
Similarity to MM139194
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224099
Similarity: 0.7532
Similarity to MM224099
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8593 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
