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DocumentationIdentifier: MM242974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242974 |
| SMILES |
COCC(F)(CO)CCN
|
| InChIKey |
KIGNNPYNZPLPIE-UHFFFAOYSA-N
|
| MW [Da] |
151.18
Automatically obtained from RDkit software. |
| LogP |
-0.32
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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MM42137
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| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7193 |
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| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 137.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM233767
Similarity: 0.6992
Similarity to MM233767
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.823 |
| MW: | 149.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
