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DocumentationIdentifier: MM94852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94852 |
| SMILES |
C=C(CCC(C)N)OC=O
|
| InChIKey |
GBQHEUVTRHFROH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86037
Similarity: 0.7619
Similarity to MM86037
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90756
Similarity: 0.7281
Similarity to MM90756
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8426 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292127
Similarity: 0.6667
Similarity to MM292127
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.8 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
