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DocumentationIdentifier: MM25106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25106 |
| SMILES |
C=CC(CCF)N(C)C=O
|
| InChIKey |
GCWOHIQUGPDJJW-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.99
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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MM172124
Similarity: 0.6829
Similarity to MM172124
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376864
Similarity: 0.6483
Similarity to MM376864
| Tanimoto metric | 0.6483 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7866 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388245
Similarity: 0.6483
Similarity to MM388245
| Tanimoto metric | 0.6483 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7866 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
