Compounds

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
46.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4104447

Name:
2-(6-Methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo-[3,4-b]pyridin-1-yl)Show More⌵

Mol. Formula:
C21H20N4O3

M.W.:
376.42

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
82.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4104257

Name:
2-(6-Methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo-[3,4-b]pyridin-1-yl)Show More⌵

Mol. Formula:
C19H18N6O3

M.W.:
378.39

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
108.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4103566

Name:
2-(1H-Benzo[d]imidazol-1-yl)-N-(4-(thiophen-3-yl)phenyl)-acetamide

Mol. Formula:
C19H15N3OS

M.W.:
333.42

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4103356

Name:
2-(6-Cyclopropyl-5,7-dioxooctahydro-1H-pyrrolo[3,4-b]-pyridin-1-yl)-N-(6-(6Show More⌵

Mol. Formula:
C22H22N6O3

M.W.:
418.46

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
108.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4102661

Name:
(R)-2-(4-(1H-Imidazol-1-yl)phenylamino)-N-(5-phenylpyridin-2-yl)propanamide

Mol. Formula:
C23H21N5O

M.W.:
383.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
71.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4102043

Name:
1,3-Dimethyl-2,4-dioxo-N-(4-(thiazol-2-yl)phenyl)-2,3,4,6,7,8-hexahydro-1H-Show More⌵

Mol. Formula:
C20H18N6O3S

M.W.:
422.47

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
103.81

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4101124

Name:
N-Methyl-2-oxo-1-(2-oxo-2-((4-(thiazol-2-yl)phenyl)amino)-ethyl)-1,2-dihydrShow More⌵

Mol. Formula:
C18H16N4O3S

M.W.:
368.42

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
93.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4099279

Name:
N-(Biphenyl-4-yl)-2-(4-(1-methyl-1H-pyrazol-5-yl)phenoxy)-acetamide

Mol. Formula:
C24H21N3O2

M.W.:
383.45

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4096832

Name:
(S)-1-(4-(1H-Imidazol-1-yl)phenyl)-N-(biphenyl-4-yl)-pyrrolidine-2-carboxamShow More⌵

Mol. Formula:
C26H24N4O

M.W.:
408.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4096728

Name:
2-(6-Methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo-[3,4-b]pyridin-1-yl)Show More⌵

Mol. Formula:
C21H20N4O3

M.W.:
376.42

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
82.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4096529

Name:
N-([2,3'-Bipyridin]-5-yl)-2-(6-methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyShow More⌵

Mol. Formula:
C20H19N5O3

M.W.:
377.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
95.50

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4095812

Name:
2-((1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)-N-(4-(thShow More⌵

Mol. Formula:
C17H17N5O3S

M.W.:
371.42

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
98.02

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4095609

Name:
2-(6-Cyclopropyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-b]pyridin-1Show More⌵

Mol. Formula:
C21H19FN6O3

M.W.:
422.42

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
108.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4094309

Name:
2-(6-methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-b]pyridin-1-yl)-Show More⌵

Mol. Formula:
C19H18N4O3S

M.W.:
382.45

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
82.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4091543

Name:
2-(4-(1H-Pyrazol-3-yl)phenoxy)-N-(biphenyl-4-yl)acetamide

Mol. Formula:
C23H19N3O2

M.W.:
369.42

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4091274

Name:
2-(4-(1H-Pyrrol-1-yl)phenoxy)-N-(biphenyl-4-yl)acetamide

Mol. Formula:
C24H20N2O2

M.W.:
368.44

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
43.26

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4089128

Name:
(S)-2-(4-(1H-Imidazol-1-yl)phenoxy)-N-(biphenyl-4-yl)-propanamide

Mol. Formula:
C24H21N3O2

M.W.:
383.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4088085

Name:
N-(6-methoxybenzo[d]thiazol-2-yl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroShow More⌵

Mol. Formula:
C26H23N5O4S

M.W.:
501.57

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
107.37

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4086549

Name:
2-(6-Methyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo-[3,4-b]pyridin-1-yl)Show More⌵

Mol. Formula:
C21H20N4O3

M.W.:
376.42