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DocumentationIdentifier: MM239113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239113 |
| SMILES |
CCC(C)(O)C(C=O)=CN
|
| InChIKey |
PEEVEILCMGFXGD-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137846
Similarity: 0.6964
Similarity to MM137846
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197934
Similarity: 0.6667
Similarity to MM197934
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415488
Similarity: 0.6087
Similarity to MM415488
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7568 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
