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DocumentationIdentifier: MM328773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328773 |
| SMILES |
NCC(CN)OC(=O)CO
|
| InChIKey |
VCQCENDWPDQJKY-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149958
Similarity: 0.7677
Similarity to MM149958
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261969
Similarity: 0.712
Similarity to MM261969
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8318 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328777
Similarity: 0.7063
Similarity to MM328777
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8279 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
