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DocumentationIdentifier: MM260449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260449 |
| SMILES |
CC(F)=CCNC(C)CO
|
| InChIKey |
PYZQUCACQKTZIA-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.83
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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MM47692
Similarity: 0.7586
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| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133377
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| Tanimoto metric | 0.7356 |
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| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167223
Similarity: 0.7011
Similarity to MM167223
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8243 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
