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DocumentationIdentifier: MM253484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253484 |
| SMILES |
CC(=CCC(C)N)OC=O
|
| InChIKey |
VAOCZQABPVXKKI-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159570
Similarity: 0.7545
Similarity to MM159570
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284768
Similarity: 0.6777
Similarity to MM284768
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.8079 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385673
Similarity: 0.6541
Similarity to MM385673
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7909 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
