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DocumentationIdentifier: MM303066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303066 |
| SMILES |
C=CCOCC(C)NC=O
|
| InChIKey |
KKGGXNKJLYRAGZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291452
Similarity: 0.7629
Similarity to MM291452
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8655 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69386
Similarity: 0.6916
Similarity to MM69386
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8177 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177833
Similarity: 0.5922
Similarity to MM177833
| Tanimoto metric | 0.5922 |
|---|---|
| Cosine metric | 0.7475 |
| Dice metric | 0.7439 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
