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DocumentationIdentifier: MM392417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392417 |
| SMILES |
CNC(COC=O)C(C)O
|
| InChIKey |
GMRZXEIFOJALJJ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162065
Similarity: 0.72
Similarity to MM162065
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60020
Similarity: 0.6806
Similarity to MM60020
| Tanimoto metric | 0.6806 |
|---|---|
| Cosine metric | 0.8104 |
| Dice metric | 0.8099 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62078
Similarity: 0.6622
Similarity to MM62078
| Tanimoto metric | 0.6622 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7967 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
