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DocumentationIdentifier: MM382213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382213 |
| SMILES |
C=CC(=CCN)COC=O
|
| InChIKey |
MBZLIWFYVJUMTO-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200159
Similarity: 0.7778
Similarity to MM200159
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71818
Similarity: 0.713
Similarity to MM71818
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8324 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377196
Similarity: 0.6693
Similarity to MM377196
| Tanimoto metric | 0.6693 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.8019 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
