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DocumentationIdentifier: MM60628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60628 |
| SMILES |
C=CC(C)(O)CCNC=O
|
| InChIKey |
GNVXMJYVMFUVHV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82077
Similarity: 0.8148
Similarity to MM82077
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227895
Similarity: 0.7295
Similarity to MM227895
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8436 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239629
Similarity: 0.7213
Similarity to MM239629
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8381 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
