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DocumentationIdentifier: MM131481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131481 |
| SMILES |
CCCNCC(F)(F)F
|
| InChIKey |
KSUNPCLRJWKSHY-UHFFFAOYSA-N
|
| MW [Da] |
141.14
Automatically obtained from RDkit software. |
| LogP |
1.55
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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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 156.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
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|---|---|---|---|---|---|
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Total active interactions
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MM152506
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Similarity to MM152506
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8302 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
