Compounds

ALA5269710

Name:
4-((2-((5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)Show More⌵

Mol. Formula:
C29H26Cl3N3O4

M.W.:
586.90

Type:
---

AlogP:
7.12

Polar Surface Area:
93.45

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5281835

Name:
2-(1-ethyl-1,2,3,4-tetrahydroquinolin-7-yl)-6,7-dimethoxy-4-(piperidine-1-cShow More⌵

Mol. Formula:
C28H33N3O4

M.W.:
475.59

Type:
---

AlogP:
4.41

Polar Surface Area:
64.01

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5281045

Name:
4-((2-((1-(2-chlorophenyl)-4-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazoShow More⌵

Mol. Formula:
C30H27ClF3N3O4

M.W.:
586.01

Type:
---

AlogP:
6.83

Polar Surface Area:
93.45

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5275347

Name:
6,7-dimethoxy-2-(5-methylbenzo[d]isoxazol-3-yl)-4-(piperidine-1-carbonyl)isShow More⌵

Mol. Formula:
C25H25N3O5

M.W.:
447.49

Type:
---

AlogP:
4.08

Polar Surface Area:
86.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5290794

Name:
4-((2-((1-(2,4-dichlorophenyl)-4-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyShow More⌵

Mol. Formula:
C30H26Cl2F3N3O4

M.W.:
620.46

Type:
---

AlogP:
7.48

Polar Surface Area:
93.45

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4113366

Name:
US9464060, 20

Mol. Formula:
C30H26FNO5

M.W.:
499.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
87.07

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3987061

Name:
US9464060, 64

Mol. Formula:
C25H22F3NO5

M.W.:
473.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

TAK-615

Name:
US9464060, 5

Mol. Formula:
C25H22FNO4

M.W.:
419.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3985727

Name:
US9464060, 80

Mol. Formula:
C25H24FNO5

M.W.:
437.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3985179

Name:
US9464060, 69

Mol. Formula:
C25H24N2O5

M.W.:
432.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
88.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3980736

Name:
US9464060, 18

Mol. Formula:
C31H26FNO4

M.W.:
495.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3980174

Name:
US9464060, 67

Mol. Formula:
C26H24FNO5

M.W.:
449.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3979729

Name:
US9464060, 36

Mol. Formula:
C29H24ClNO4

M.W.:
485.97

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.72

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3976680

Name:
US9464060, 6

Mol. Formula:
C26H24FNO4

M.W.:
433.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3975980

Name:
US9464060, 60

Mol. Formula:
C24H22FNO4

M.W.:
407.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3975225

Name:
US9464060, 57

Mol. Formula:
C31H34FNO5

M.W.:
519.61

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3973570

Name:
US9464060, 1

Mol. Formula:
C23H20FNO4

M.W.:
393.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3972698

Name:
US9464060, 16

Mol. Formula:
C30H25F2NO4

M.W.:
501.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3972525

Name:
US9464060, 77

Mol. Formula:
C24H21FN2O4

M.W.:
420.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
79.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3971670

Name:
US9464060, 25

Mol. Formula:
C30H27NO4

M.W.:
465.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS