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DocumentationIdentifier: MM73045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73045 |
| SMILES |
CC(O)C(C)CCNC=O
|
| InChIKey |
OLTBCDIUMARHEY-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86017
Similarity: 0.8105
Similarity to MM86017
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300927
Similarity: 0.7196
Similarity to MM300927
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.837 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165694
Similarity: 0.6842
Similarity to MM165694
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
