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DocumentationIdentifier: MM20647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM20647 |
| SMILES |
NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
| InChIKey |
MTOMEIDJINPCIW-UHFFFAOYSA-N
|
| MW [Da] |
358.43
Automatically obtained from RDkit software. |
| LogP |
3.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM20993
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Similarity to MM20993
| Tanimoto metric | 0.786 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8802 |
| MW: | 476.61 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 6.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Chembl558362
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Similarity to Chembl558362
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 485.62 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
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| LogP: | 4.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM19727
Similarity: 0.7558
Similarity to MM19727
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8609 |
| MW: | 386.53 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+16 more
