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DocumentationIdentifier: MM312478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312478 |
| SMILES |
CC(C=O)COCC(=O)O
|
| InChIKey |
CIRRLDXQNZJURQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48504
Similarity: 0.7342
Similarity to MM48504
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303036
Similarity: 0.7303
Similarity to MM303036
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8442 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48529
Similarity: 0.7215
Similarity to MM48529
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
