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DocumentationIdentifier: MM388563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388563 |
| SMILES |
COC(C(N)=O)C(C)C=O
|
| InChIKey |
LYPLHRXOPDIWQT-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181013
Similarity: 0.7417
Similarity to MM181013
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160245
Similarity: 0.7219
Similarity to MM160245
| Tanimoto metric | 0.7219 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8385 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225636
Similarity: 0.6022
Similarity to MM225636
| Tanimoto metric | 0.6022 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7517 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
