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DocumentationIdentifier: MM303979
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303979 |
| SMILES |
CCOCC(C)CNC=O
|
| InChIKey |
BXVBSRZHZXOOPG-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261584
Similarity: 0.6893
Similarity to MM261584
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8161 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304417
Similarity: 0.6628
Similarity to MM304417
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.7972 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112654
Similarity: 0.6463
Similarity to MM112654
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.7852 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
