Compounds

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
101.30

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4175040

Name:
(1-((2-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C29H33ClN6O4S2

M.W.:
629.21

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
129.57

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4174101

Name:
N-(3,4-dimethoxybenzyl)-3-(1-((2-(pyrimidin-2-ylamino)pyridin-4-yl)oxy)ethyShow More⌵

Mol. Formula:
C27H27N5O4

M.W.:
485.54

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
107.49

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4173466

Name:
N-(4-chloro-3-(trifluoromethyl)benzyl)-3-(1-((2-((4-methylpiperazin-1-yl)amShow More⌵

Mol. Formula:
C27H29ClF3N5O2

M.W.:
548.01

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
69.73

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4171597

Name:
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(morpholinometShow More⌵

Mol. Formula:
C28H31ClN6O4S2

M.W.:
615.18

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
118.57

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4171478

Name:
N-(4-methylbenzyl)-3-(1-((2-(piperidin-1-ylamino)pyridin-4-yl)oxy)ethyl)benShow More⌵

Mol. Formula:
C27H32N4O2

M.W.:
444.58

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
66.49

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4170674

Name:
N-(4-methylbenzyl)-3-(1-((2-((3,4,5-trimethoxyphenyl)amino)pyridin-4-yl)oxyShow More⌵

Mol. Formula:
C31H33N3O5

M.W.:
527.62

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
90.94

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4170026

Name:
N-(4-methylbenzyl)-3-(1-((2-(morpholinoamino)pyridin-4-yl)oxy)ethyl)benzamiShow More⌵

Mol. Formula:
C26H30N4O3

M.W.:
446.55

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
75.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4168963

Name:
3-(1-((2-((1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)amino)pyridin-4-yl)Show More⌵

Mol. Formula:
C29H33N5O3

M.W.:
499.62

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
101.30

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4167072

Name:
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-((4-methylpipeShow More⌵

Mol. Formula:
C29H34ClN7O3S2

M.W.:
628.22

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
112.58

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4166604

Name:
3-(1-((2-((1-methyl-1H-pyrazol-4-yl)amino)pyridin-4-yl)oxy)ethyl)-N-(4-methShow More⌵

Mol. Formula:
C26H27N5O2

M.W.:
441.54

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
81.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4166182

Name:
N-(3,4-dimethoxybenzyl)-3-(1-((2-((1-(piperidin-4-yl)-1H-pyrazol-4-yl)aminoShow More⌵

Mol. Formula:
C31H36N6O4

M.W.:
556.67

17 activity values

17 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
111.56

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4165540

Name:
N-(4-methylbenzyl)-3-(1-((2-((4-methylpiperazin-1-yl)amino)pyridin-4-yl)oxyShow More⌵

Mol. Formula:
C27H33N5O2

M.W.:
459.59

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
69.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4164390

Name:
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(pyrrolidin-1-Show More⌵

Mol. Formula:
C28H31ClN6O3S2

M.W.:
599.18

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
109.34

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4163582

Name:
3-(1-((2-((1H-benzo[d]imidazole-2-yl)amino)pyridin-4-yl)oxy)ethyl)-N-(4-metShow More⌵

Mol. Formula:
C29H27N5O2

M.W.:
477.57

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
91.93

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4162738

Name:
N-(3,4-dimethoxybenzyl)-3-(1-((2-((1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-Show More⌵

Mol. Formula:
C32H38N6O4

M.W.:
570.69

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
102.77

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4162098

Name:
3-(1-((2-((1,3-dimethyl-1H-pyrazol-4-yl)amino)pyridin-4-yl)oxy)ethyl)-N-(4-Show More⌵

Mol. Formula:
C27H29N5O2

M.W.:
455.56

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
81.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4160984

Name:
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(piperidin-1-yShow More⌵

Mol. Formula:
C29H33ClN6O3S2

M.W.:
613.21

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
109.34

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4159911

Name:
2-(((2-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C26H29ClN6O4S2

M.W.:
589.14