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DocumentationIdentifier: MM352986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352986 |
| SMILES |
CC=CCC(O)C(=O)NC
|
| InChIKey |
LBEZXQQIHQSTFC-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71830
Similarity: 0.7063
Similarity to MM71830
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8278 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73454
Similarity: 0.6779
Similarity to MM73454
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.808 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304373
Similarity: 0.6601
Similarity to MM304373
| Tanimoto metric | 0.6601 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7953 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
