Compounds

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3104269

Name:
2-Propanoyl-1,4-naphthohydroquinone

Mol. Formula:
C13H12O3

M.W.:
216.24

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA3104267

Name:
2-(4-Methoxybenzoyl)-1,4-naphthohydroquinone

Mol. Formula:
C18H14O4

M.W.:
294.31

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3104266

Name:
2-(4-Methylbenzoyl)-1,4-naphthohydroquinone

Mol. Formula:
C18H14O3

M.W.:
278.31

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1684817

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-4-(3-(4-(trifluoroShow More⌵

Mol. Formula:
C25H23F3N8O3

M.W.:
540.51

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
149.08

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1684816

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(3-methylisoxShow More⌵

Mol. Formula:
C24H25N7O4

M.W.:
475.51

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
149.33

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1684811

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-(2,4-bis(trifluoromethShow More⌵

Mol. Formula:
C28H24F6N6O3

M.W.:
606.53

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
123.30

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1684810

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-cyclohexylureido)-2-meShow More⌵

Mol. Formula:
C26H32N6O3

M.W.:
476.58

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
123.30

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1684808

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-4-(3-(4-chlorophenyl)ureidoShow More⌵

Mol. Formula:
C26H25ClN6O3

M.W.:
504.98

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
123.30

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1684803

Name:
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-(2,6-dichlorophenyl)urShow More⌵

Mol. Formula:
C26H24Cl2N6O3

M.W.:
539.42

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
123.30

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1684795

Name:
N-(4-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-3-methylphenyl)Show More⌵

Mol. Formula:
C28H25N7O3S

M.W.:
539.62

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
137.05

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1684794

Name:
N-(4-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-3-methylphenyl)Show More⌵

Mol. Formula:
C25H23ClN6O3

M.W.:
490.95

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
124.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1684793

Name:
N-(4-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-3-methylphenyl)Show More⌵

Mol. Formula:
C24H23N7O3

M.W.:
457.49

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
137.05

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1684792

Name:
N-(4-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-3-methylphenyl)Show More⌵

Mol. Formula:
C24H24N6O4

M.W.:
460.49

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
137.30

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1684788

Name:
N-(3-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-4-methylphenyl)Show More⌵

Mol. Formula:
C31H25ClF3N5O4

M.W.:
624.02

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
124.41

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1684787

Name:
N-(3-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-4-methylphenyl)Show More⌵

Mol. Formula:
C30H26F3N7O3

M.W.:
589.58

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
129.09

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA565255

Name:
1-(4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)-3-(3,4-dichlorophenylShow More⌵

Mol. Formula:
C19H14Cl2N6O

M.W.:
413.27

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
97.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA566775

Name:
N-(4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)beShow More⌵

Mol. Formula:
C20H14F3N5O

M.W.:
397.36

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
85.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA583208

Name:
N-(7-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenyl)-7H-pyrrolo[2,3-d]pyrimShow More⌵

Mol. Formula:
C27H19F3N6O2

M.W.:
516.48