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DocumentationIdentifier: MM308743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308743 |
| SMILES |
COC(C)(C=O)CNC=O
|
| InChIKey |
YRFCZJIUUXLWPL-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41898
Similarity: 0.746
Similarity to MM41898
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198952
Similarity: 0.6984
Similarity to MM198952
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8224 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77355
Similarity: 0.6835
Similarity to MM77355
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.812 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
