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DocumentationIdentifier: MM58791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58791 |
| SMILES |
C=CCNCC(C)OC=O
|
| InChIKey |
CCXMAAGKAPMZJX-UHFFFAOYSA-N
|
| MW [Da] |
143.19
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 |
Similar entries
MM68967
Similarity: 0.8427
Similarity to MM68967
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291463
Similarity: 0.7732
Similarity to MM291463
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8721 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291581
Similarity: 0.7075
Similarity to MM291581
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8287 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
