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DocumentationIdentifier: MM275335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275335 |
| SMILES |
COC(CC(C)=O)C(N)=O
|
| InChIKey |
FEUZBUMYJHDCIX-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52225
Similarity: 0.7115
Similarity to MM52225
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133719
Similarity: 0.7051
Similarity to MM133719
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8271 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245610
Similarity: 0.6011
Similarity to MM245610
| Tanimoto metric | 0.6011 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7509 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
