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DocumentationIdentifier: MM213176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213176 |
| SMILES |
C#CCCOCOC=O
|
| InChIKey |
LXZODNZNLUKJEG-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287305
Similarity: 0.7808
Similarity to MM287305
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125670
Similarity: 0.7719
Similarity to MM125670
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213077
Similarity: 0.7213
Similarity to MM213077
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8381 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
