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DocumentationIdentifier: MM386445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386445 |
| SMILES |
O=CNC(CO)COC=O
|
| InChIKey |
GYNPADPNBHRKIZ-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177833
Similarity: 0.7789
Similarity to MM177833
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250798
Similarity: 0.6341
Similarity to MM250798
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7773 |
| Dice metric | 0.7761 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387331
Similarity: 0.6094
Similarity to MM387331
| Tanimoto metric | 0.6094 |
|---|---|
| Cosine metric | 0.7596 |
| Dice metric | 0.7573 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
