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DocumentationIdentifier: MM304405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304405 |
| SMILES |
N=CNC(=CC=O)CC=O
|
| InChIKey |
YCDKZONQDHNOCP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376867
Similarity: 0.7252
Similarity to MM376867
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8407 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304498
Similarity: 0.7029
Similarity to MM304498
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8255 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81351
Similarity: 0.6786
Similarity to MM81351
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8085 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
