Compounds

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
113.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3758249

Name:
1-(benzo[d][1,3]dioxol-5-yl)-3-(1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-ylShow More⌵

Mol. Formula:
C22H18N6O4

M.W.:
430.42

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
123.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3758383

Name:
1-(3,5-dimethoxyphenyl)-3-(1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-pShow More⌵

Mol. Formula:
C23H22N6O4

M.W.:
446.47

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
123.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3759613

Name:
1-(4-tert-butylphenyl)-3-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-pheShow More⌵

Mol. Formula:
C26H28N6O2

M.W.:
456.55

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
104.70

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3759192

Name:
1-(3,5-dimethoxyphenyl)-3-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-phShow More⌵

Mol. Formula:
C24H24N6O4

M.W.:
460.49

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
123.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3759177

Name:
1-(benzo[d][1,3]dioxol-5-yl)-3-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)Show More⌵

Mol. Formula:
C23H20N6O4

M.W.:
444.45

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
123.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3758210

Name:
1-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C19H22N6O3

M.W.:
382.42

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
113.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3758571

Name:
1-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)urea

Mol. Formula:
C17H22N4O2

M.W.:
314.39

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3759075

Name:
1-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-3-(3-methoxyphenyl)urea

Mol. Formula:
C17H22N4O2

M.W.:
314.39

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3758689

Name:
1-(1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)urea

Mol. Formula:
C18H17FN4O2

M.W.:
340.36

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3758476

Name:
1-(1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl)-3-(3-methoxyphenyl)urea

Mol. Formula:
C18H17FN4O2

M.W.:
340.36

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3759695

Name:
1-(4-(benzyloxy)phenyl)-3-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea

Mol. Formula:
C24H22N4O2

M.W.:
398.47

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3758482

Name:
1-(4-(benzyloxy)phenyl)-3-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)urea

Mol. Formula:
C24H21ClN4O2

M.W.:
432.91

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3759971

Name:
1-(4-(benzyloxy)phenyl)-3-(1,3-diphenyl-1H-pyrazol-5-yl)urea

Mol. Formula:
C29H24N4O2

M.W.:
460.54

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3759256

Name:
1-(3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxy-4-methylpShow More⌵

Mol. Formula:
C26H26N4O4

M.W.:
458.52

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
86.64

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3758527

Name:
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea

Mol. Formula:
C21H24N4O2

M.W.:
364.45

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3759940

Name:
1-(4-(benzyloxy)phenyl)-3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)urea

Mol. Formula:
C22H26N4O2

M.W.:
378.48

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3759686

Name:
1-(4-chlorophenyl)-3-(5-methyl-4-phenylthiazol-2-yl)urea

Mol. Formula:
C17H14ClN3OS

M.W.:
343.84

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3759881

Name:
1-(3,4-dimethoxyphenyl)-3-(5,6-dimethylbenzo[d]thiazol-2-yl)urea

Mol. Formula:
C18H19N3O3S

M.W.:
357.44

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
72.48

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3758874

Name:
ethyl 2-(3-(3,4-dichlorophenyl)ureido)-4-methylthiazole-5-carboxylate

Mol. Formula:
C14H13Cl2N3O3S

M.W.:
374.25