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DocumentationIdentifier: MM20993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM20993 |
| SMILES |
O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
| InChIKey |
VGBOISIRCIDEGP-UHFFFAOYSA-N
|
| MW [Da] |
476.61
Automatically obtained from RDkit software. |
| LogP |
6.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM20996
Similarity: 0.8609
Similarity to MM20996
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9257 |
| Dice metric | 0.9252 |
| MW: | 480.57 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20647
Similarity: 0.786
Similarity to MM20647
| Tanimoto metric | 0.786 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8802 |
| MW: | 358.43 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM19727
Similarity: 0.7212
Similarity to MM19727
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.838 |
| MW: | 386.53 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
