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DocumentationIdentifier: MM75335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75335 |
| SMILES |
CNC=NC(CO)COC
|
| InChIKey |
LSAFARBGRQJLEE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156720
Similarity: 0.8444
Similarity to MM156720
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90706
Similarity: 0.6786
Similarity to MM90706
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8085 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57835
Similarity: 0.6341
Similarity to MM57835
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7761 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
