Compounds

ALA5220985

Name:
tert-butyl 4-((1-(6-chloro-1H-indol-3-yl)-2-oxo-2-(((1R,4S)-1,7,7-trimethylShow More⌵

Mol. Formula:
C40H49ClN8O4

M.W.:
741.34

1 activity values

1 unique targets

Type:
---

AlogP:
6.94

Polar Surface Area:
139.51

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4800702

Name:
2-((4-Bromophenyl)(pyridin-2-ylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4HShow More⌵

Mol. Formula:
C18H15BrN2O4

M.W.:
403.23

4 activity values

1 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
95.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4798108

Name:
2-((2-Fluorophenyl)(pyridin-2-ylamino)methyl)-6-(hydroxymethyl)-3-methoxy-4Show More⌵

Mol. Formula:
C19H17FN2O4

M.W.:
356.35

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
84.59

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4797833

Name:
4-((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)(phenylamino)methyl)benShow More⌵

Mol. Formula:
C20H18N2O5

M.W.:
366.37

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
125.79

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4797545

Name:
4-(((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)(pyridin-2-yl)methyl)aShow More⌵

Mol. Formula:
C19H17N3O5

M.W.:
367.36

3 activity values

1 unique targets

Type:
Unknown

AlogP:
1.53

Polar Surface Area:
138.68

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4789889

Name:
2-((4-Fluorophenyl)(phenylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyraShow More⌵

Mol. Formula:
C19H16FNO4

M.W.:
341.34

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4787565

Name:
2-((2-Fluorophenyl)(phenylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyraShow More⌵

Mol. Formula:
C19H16FNO4

M.W.:
341.34

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4786804

Name:
6-(Hydroxymethyl)-3-methoxy-2-(phenyl-(phenylamino)methyl)-4H-pyran-4-one

Mol. Formula:
C20H19NO4

M.W.:
337.38

9 activity values

2 unique targets

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
71.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4784286

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(isoindolin-2-yl-(phenyl)methyl)-4H-pyran-4-oShow More⌵

Mol. Formula:
C21H19NO4

M.W.:
349.39

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4783341

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(((4-methylpyridin-2-yl)amino)(phenyl)methyl)Show More⌵

Mol. Formula:
C19H18N2O4

M.W.:
338.36

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
95.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4782185

Name:
(S)-2-((3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)methylamino)-4-(metShow More⌵

Mol. Formula:
C12H17NO6S

M.W.:
303.34

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.13

Polar Surface Area:
120.00

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4781890

Name:
2-(((1H-Benzo[d]imidazol-2-yl)amino)(phenyl)-methyl)-3-hydroxy-6-(hydroxymeShow More⌵

Mol. Formula:
C20H17N3O4

M.W.:
363.37

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
111.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4778316

Name:
3-hydroxy-6-(hydroxymethyl)-2-((isopropylamino)(phenyl)methyl)-4H-pyran-4-oShow More⌵

Mol. Formula:
C16H19NO4

M.W.:
289.33

3 activity values

1 unique targets

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4776143

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(naphthalen-2-yl-(phenylamino)methyl)-4H-pyraShow More⌵

Mol. Formula:
C23H19NO4

M.W.:
373.41

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4764516

Name:
2-(Cyclohexyl(phenylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-onShow More⌵

Mol. Formula:
C19H23NO4

M.W.:
329.40

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

TED-347

Name:
2-chloro-1-(2-(3-(trifluoromethyl)phenylamino)phenyl)ethanone

Mol. Formula:
C15H11ClF3NO

M.W.:
313.71

5 activity values

2 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4760394

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(2-methyl-1-(phenylamino)propyl)-4H-pyran-4-oShow More⌵

Mol. Formula:
C16H19NO4

M.W.:
289.33

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
82.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4759934

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(pyridin-2-yl-(pyridin-2-ylamino)methyl)-4H-pShow More⌵

Mol. Formula:
C17H15N3O4

M.W.:
325.32

3 activity values

1 unique targets

Type:
Unknown

AlogP:
1.83

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4759333

Name:
3-Hydroxy-6-(hydroxymethyl)-2-(phenyl(pyrimidin-2-ylamino)methyl)-4H-pyran-Show More⌵

Mol. Formula:
C17H15N3O4

M.W.:
325.32

3 activity values

1 unique targets

Type:
Unknown

AlogP:
1.83

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4757939

Name:
3-Hydroxy-6-(hydroxymethyl)-2-((phenylamino)-(pyridin-2-yl)methyl)-4H-pyranShow More⌵

Mol. Formula:
C18H16N2O4

M.W.:
324.34

3 activity values

1 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
95.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS