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DocumentationIdentifier: MM308122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308122 |
| SMILES |
CCC(N)(CO)COC=O
|
| InChIKey |
SADSPHVUEYMQSF-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74663
Similarity: 0.7712
Similarity to MM74663
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8708 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65175
Similarity: 0.7097
Similarity to MM65175
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8302 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308118
Similarity: 0.7023
Similarity to MM308118
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8251 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
